5-cyclopropyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;N-[4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine

C47H53F3N12O3 — CID 158775336

IUPAC5-cyclopropyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;N-[4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1.FC(F)(F)c1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1.c1cc([C@H]2CNCCO2)ccc1Nc1ncc(C2CC2)cn1
InChIInChI=1S/C17H20N4O.C15H15F3N4O.C15H18N4O/c1-2-12(1)14-9-19-17(20-10-14)21-15-5-3-13(4-6-15)16-11-18-7-8-22-16;16-15(17,18)11-7-20-14(21-8-11)22-12-3-1-10(2-4-12)13-9-19-5-6-23-13;1-11-8-17-15(18-9-11)19-13-4-2-12(3-5-13)14-10-16-6-7-20-14/h3-6,9-10,12,16,18H,1-2,7-8,11H2,(H,19,20,21);1-4,7-8,13,19H,5-6,9H2,(H,20,21,22);2-5,8-9,14,16H,6-7,10H2,1H3,(H,17,18,19)/t16-;13-;14-/m111/s1
InChIKeyIQKCTXRLNBVNLY-WBZBBXTMSA-N
MW891.02 g/mol
LogP7.85
Rot. Bonds10

About 5-cyclopropyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;N-[4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine

5-cyclopropyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;N-[4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 158775336) has the molecular formula C47H53F3N12O3 and a molecular weight of 891.02 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;N-[4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;N-[4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID158775336
Molecular FormulaC47H53F3N12O3
Molecular Weight891.02 g/mol
Exact Mass890.43
IUPAC Name5-cyclopropyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;N-[4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1.FC(F)(F)c1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1.c1cc([C@H]2CNCCO2)ccc1Nc1ncc(C2CC2)cn1
InChIInChI=1S/C17H20N4O.C15H15F3N4O.C15H18N4O/c1-2-12(1)14-9-19-17(20-10-14)21-15-5-3-13(4-6-15)16-11-18-7-8-22-16;16-15(17,18)11-7-20-14(21-8-11)22-12-3-1-10(2-4-12)13-9-19-5-6-23-13;1-11-8-17-15(18-9-11)19-13-4-2-12(3-5-13)14-10-16-6-7-20-14/h3-6,9-10,12,16,18H,1-2,7-8,11H2,(H,19,20,21);1-4,7-8,13,19H,5-6,9H2,(H,20,21,22);2-5,8-9,14,16H,6-7,10H2,1H3,(H,17,18,19)/t16-;13-;14-/m111/s1
InChIKeyIQKCTXRLNBVNLY-WBZBBXTMSA-N
XLogP7.85
TPSA177.21 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500891.02
LogP ≤ 57.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 5-cyclopropyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;N-[4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[2-Morpholin-4-yl-6-(2-phenylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507503
5-[2-Morpholin-4-yl-6-(2-phenylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 59507730
5-cyclopropyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 68325388
4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-5-propan-2-ylpyrimidin-2-amine
CID 68325419
N-[4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 68325427
N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-5-propylpyrimidin-2-amine
CID 68325432
N-(2-fluoro-4-morpholin-2-ylphenyl)-5-propylpyrimidin-2-amine
CID 68325434
5-cyclopropyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 68325448
N-[2-methyl-4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 68325452
N-[4-[(2S)-morpholin-2-yl]phenyl]-5-propylpyrimidin-2-amine
CID 68325454
5-cyclopropyl-N-[2-methyl-4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 68325457
5-cyclopropyl-N-(2-methyl-4-morpholin-2-ylphenyl)pyrimidin-2-amine
CID 68325459

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;N-[4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-cyclopropyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;N-[4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 158775336) is 5-cyclopropyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;N-[4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;N-[4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;N-[4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine is Cc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1.FC(F)(F)c1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1.c1cc([C@H]2CNCCO2)ccc1Nc1ncc(C2CC2)cn1.
What is the InChIKey of 5-cyclopropyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;N-[4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is IQKCTXRLNBVNLY-WBZBBXTMSA-N. The full InChI is InChI=1S/C17H20N4O.C15H15F3N4O.C15H18N4O/c1-2-12(1)14-9-19-17(20-10-14)21-15-5-3-13(4-6-15)16-11-18-7-8-22-16;16-15(17,18)11-7-20-14(21-8-11)22-12-3-1-10(2-4-12)13-9-19-5-6-23-13;1-11-8-17-15(18-9-11)19-13-4-2-12(3-5-13)14-10-16-6-7-20-14/h3-6,9-10,12,16,18H,1-2,7-8,11H2,(H,19,20,21);1-4,7-8,13,19H,5-6,9H2,(H,20,21,22);2-5,8-9,14,16H,6-7,10H2,1H3,(H,17,18,19)/t16-;13-;14-/m111/s1.
What are the key properties of 5-cyclopropyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;N-[4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine?
5-cyclopropyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;N-[4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 891.02 g/mol, XLogP of 7.85, 10 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;N-[4-[(2S)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 158775336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).