6-[2-(4-ethylphenyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine

C23H26FN5 — CID 166776000

IUPAC6-[2-(4-ethylphenyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
SMILESCCc1ccc(C2CCCN2c2ncnc(NCc3ccc(C)nc3)c2F)cc1
InChIInChI=1S/C23H26FN5/c1-3-17-8-10-19(11-9-17)20-5-4-12-29(20)23-21(24)22(27-15-28-23)26-14-18-7-6-16(2)25-13-18/h6-11,13,15,20H,3-5,12,14H2,1-2H3,(H,26,27,28)
InChIKeyUKEBHMYRFLHKNP-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.84
Rot. Bonds6

About 6-[2-(4-ethylphenyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine

6-[2-(4-ethylphenyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 166776000) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is 6-[2-(4-ethylphenyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(4-ethylphenyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID166776000
Molecular FormulaC23H26FN5
Molecular Weight391.49 g/mol
Exact Mass391.22
IUPAC Name6-[2-(4-ethylphenyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
SMILESCCc1ccc(C2CCCN2c2ncnc(NCc3ccc(C)nc3)c2F)cc1
InChIInChI=1S/C23H26FN5/c1-3-17-8-10-19(11-9-17)20-5-4-12-29(20)23-21(24)22(27-15-28-23)26-14-18-7-6-16(2)25-13-18/h6-11,13,15,20H,3-5,12,14H2,1-2H3,(H,26,27,28)
InChIKeyUKEBHMYRFLHKNP-UHFFFAOYSA-N
XLogP4.84
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-(4-ethylphenyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine with MolForge

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Related Compounds

5-fluoro-N-[(4-methylcyclohexyl)methyl]-6-[(2R)-2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 166769432
6-[(2R)-2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[(1-propylcyclobutyl)methyl]pyrimidin-4-amine
CID 166776031
5-fluoro-N-[(1-oxothiolan-2-yl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 166776103
2-[1-[6-[[4-(2-aminoethyl)phenyl]methylamino]-5-fluoropyrimidin-4-yl]pyrrolidin-2-yl]-5-(trifluoromethyl)phenol
CID 166776115
2-[4-[[[6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]acetamide
CID 156792452
5-fluoro-N-[(1-fluorocyclohexyl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-amine
CID 166776040
1-[(6-methyl-3-pyridinyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238849
2-[4-[[[6-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 156501240
1-cyclopentyl-5-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]piperidin-2-one
CID 166776059
N-[(6-methyl-3-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55142080
6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine
CID 129033128
2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 60965717

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-ethylphenyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-[2-(4-ethylphenyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine (CID 166776000) is 6-[2-(4-ethylphenyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(4-ethylphenyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-[2-(4-ethylphenyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine is CCc1ccc(C2CCCN2c2ncnc(NCc3ccc(C)nc3)c2F)cc1.
What is the InChIKey of 6-[2-(4-ethylphenyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is UKEBHMYRFLHKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5/c1-3-17-8-10-19(11-9-17)20-5-4-12-29(20)23-21(24)22(27-15-28-23)26-14-18-7-6-16(2)25-13-18/h6-11,13,15,20H,3-5,12,14H2,1-2H3,(H,26,27,28).
What are the key properties of 6-[2-(4-ethylphenyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine?
6-[2-(4-ethylphenyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine has a molecular weight of 391.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-ethylphenyl)pyrrolidin-1-yl]-5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 166776000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).