3-(aminomethyl)cyclobutane-1-carboxylic acid;N-cyclopropyl-5,6-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxylic acid;methane

C64H72F13N13O5 — CID 158080510

IUPAC3-(aminomethyl)cyclobutane-1-carboxylic acid;N-cyclopropyl-5,6-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxylic acid;methane
SMILESC.Fc1ncnc(N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1F.NC(=O)C1CC(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)C1.NCC1CC(C(=O)O)C1.O=C(O)C1CC(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)C1
InChIInChI=1S/C21H23F4N5O.C21H22F4N4O2.C15H12F5N3.C6H11NO2.CH4/c22-17-19(27-9-13-7-14(8-13)18(26)31)28-11-29-20(17)30(16-5-6-16)10-12-1-3-15(4-2-12)21(23,24)25;22-17-18(26-9-13-7-14(8-13)20(30)31)27-11-28-19(17)29(16-5-6-16)10-12-1-3-15(4-2-12)21(23,24)25;16-12-13(17)21-8-22-14(12)23(11-5-6-11)7-9-1-3-10(4-2-9)15(18,19)20;7-3-4-1-5(2-4)6(8)9;/h1-4,11,13-14,16H,5-10H2,(H2,26,31)(H,27,28,29);1-4,11,13-14,16H,5-10H2,(H,30,31)(H,26,27,28);1-4,8,11H,5-7H2;4-5H,1-3,7H2,(H,8,9);1H4
InChIKeyFMWYIGPYEHJRFW-UHFFFAOYSA-N
MW1350.34 g/mol
LogP12.69
Rot. Bonds22

About 3-(aminomethyl)cyclobutane-1-carboxylic acid;N-cyclopropyl-5,6-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxylic acid;methane

3-(aminomethyl)cyclobutane-1-carboxylic acid;N-cyclopropyl-5,6-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxylic acid;methane (PubChem CID 158080510) has the molecular formula C64H72F13N13O5 and a molecular weight of 1350.34 g/mol. Its IUPAC name is 3-(aminomethyl)cyclobutane-1-carboxylic acid;N-cyclopropyl-5,6-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxylic acid;methane.

Molecular Properties

Compound Name3-(aminomethyl)cyclobutane-1-carboxylic acid;N-cyclopropyl-5,6-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxylic acid;methane
PubChem CID158080510
Molecular FormulaC64H72F13N13O5
Molecular Weight1350.34 g/mol
Exact Mass1349.56
IUPAC Name3-(aminomethyl)cyclobutane-1-carboxylic acid;N-cyclopropyl-5,6-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxylic acid;methane
SMILESC.Fc1ncnc(N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1F.NC(=O)C1CC(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)C1.NCC1CC(C(=O)O)C1.O=C(O)C1CC(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)C1
InChIInChI=1S/C21H23F4N5O.C21H22F4N4O2.C15H12F5N3.C6H11NO2.CH4/c22-17-19(27-9-13-7-14(8-13)18(26)31)28-11-29-20(17)30(16-5-6-16)10-12-1-3-15(4-2-12)21(23,24)25;22-17-18(26-9-13-7-14(8-13)20(30)31)27-11-28-19(17)29(16-5-6-16)10-12-1-3-15(4-2-12)21(23,24)25;16-12-13(17)21-8-22-14(12)23(11-5-6-11)7-9-1-3-10(4-2-9)15(18,19)20;7-3-4-1-5(2-4)6(8)9;/h1-4,11,13-14,16H,5-10H2,(H2,26,31)(H,27,28,29);1-4,11,13-14,16H,5-10H2,(H,30,31)(H,26,27,28);1-4,8,11H,5-7H2;4-5H,1-3,7H2,(H,8,9);1H4
InChIKeyFMWYIGPYEHJRFW-UHFFFAOYSA-N
XLogP12.69
TPSA254.83 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001350.34
LogP ≤ 512.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 3-(aminomethyl)cyclobutane-1-carboxylic acid;N-cyclopropyl-5,6-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxylic acid;methane with MolForge

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Related Compounds

3-[[[6-[Cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxylic acid
CID 118869352
3-[[[6-[[Cyclopropyl-[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxylic acid
CID 118869382
2-[4-[[[6-[Cyclobutyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[cyclobutyl-[4-(trifluoromethyl)phenyl]methyl]-cyclopropylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetonitrile;2-[4-[[[6-[cyclopropylmethyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;methyl 3-[[6-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-5-fluoropyrimidin-4-yl]-cyclopropylamino]-3-[4-(trifluoromethyl)phenyl]propanoate
CID 157573330
5,6-difluoro-N-methyl-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-4-amine;5,6-difluoro-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrimidin-4-amine;2-[4-[[[5-fluoro-6-[methyl-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;iodomethane;methane
CID 160596742
2-[4-[[[6-[Cyclobutyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[[cyclobutyl-[4-(trifluoromethyl)phenyl]methyl]-cyclopropylamino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;2-[4-[[[6-[cyclopropylmethyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]acetamide;methyl 3-[[6-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-5-fluoropyrimidin-4-yl]-cyclopropylamino]-3-[4-(trifluoromethyl)phenyl]propanoate
CID 160914403

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)cyclobutane-1-carboxylic acid;N-cyclopropyl-5,6-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxylic acid;methane?
The IUPAC name of 3-(aminomethyl)cyclobutane-1-carboxylic acid;N-cyclopropyl-5,6-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxylic acid;methane (CID 158080510) is 3-(aminomethyl)cyclobutane-1-carboxylic acid;N-cyclopropyl-5,6-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxylic acid;methane.
What is the SMILES notation for 3-(aminomethyl)cyclobutane-1-carboxylic acid;N-cyclopropyl-5,6-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxylic acid;methane?
The canonical SMILES for 3-(aminomethyl)cyclobutane-1-carboxylic acid;N-cyclopropyl-5,6-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxylic acid;methane is C.Fc1ncnc(N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c1F.NC(=O)C1CC(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)C1.NCC1CC(C(=O)O)C1.O=C(O)C1CC(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)C1.
What is the InChIKey of 3-(aminomethyl)cyclobutane-1-carboxylic acid;N-cyclopropyl-5,6-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxylic acid;methane?
The InChIKey is FMWYIGPYEHJRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F4N5O.C21H22F4N4O2.C15H12F5N3.C6H11NO2.CH4/c22-17-19(27-9-13-7-14(8-13)18(26)31)28-11-29-20(17)30(16-5-6-16)10-12-1-3-15(4-2-12)21(23,24)25;22-17-18(26-9-13-7-14(8-13)20(30)31)27-11-28-19(17)29(16-5-6-16)10-12-1-3-15(4-2-12)21(23,24)25;16-12-13(17)21-8-22-14(12)23(11-5-6-11)7-9-1-3-10(4-2-9)15(18,19)20;7-3-4-1-5(2-4)6(8)9;/h1-4,11,13-14,16H,5-10H2,(H2,26,31)(H,27,28,29);1-4,11,13-14,16H,5-10H2,(H,30,31)(H,26,27,28);1-4,8,11H,5-7H2;4-5H,1-3,7H2,(H,8,9);1H4.
What are the key properties of 3-(aminomethyl)cyclobutane-1-carboxylic acid;N-cyclopropyl-5,6-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxylic acid;methane?
3-(aminomethyl)cyclobutane-1-carboxylic acid;N-cyclopropyl-5,6-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxylic acid;methane has a molecular weight of 1350.34 g/mol, XLogP of 12.69, 22 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)cyclobutane-1-carboxylic acid;N-cyclopropyl-5,6-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxamide;3-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclobutane-1-carboxylic acid;methane is sourced from PubChem (CID 158080510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).