6-[3-[[(4-methylcyclohexyl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine

C21H25N5 — CID 72705104

IUPAC6-[3-[[(4-methylcyclohexyl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCC1CCC(NCc2cccc(-c3ccc4ncnc(N)c4n3)c2)CC1
InChIInChI=1S/C21H25N5/c1-14-5-7-17(8-6-14)23-12-15-3-2-4-16(11-15)18-9-10-19-20(26-18)21(22)25-13-24-19/h2-4,9-11,13-14,17,23H,5-8,12H2,1H3,(H2,22,24,25)
InChIKeyJUIIYPRGWZKSCJ-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.94
Rot. Bonds4

About 6-[3-[[(4-methylcyclohexyl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine

6-[3-[[(4-methylcyclohexyl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 72705104) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 6-[3-[[(4-methylcyclohexyl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-[[(4-methylcyclohexyl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID72705104
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name6-[3-[[(4-methylcyclohexyl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCC1CCC(NCc2cccc(-c3ccc4ncnc(N)c4n3)c2)CC1
InChIInChI=1S/C21H25N5/c1-14-5-7-17(8-6-14)23-12-15-3-2-4-16(11-15)18-9-10-19-20(26-18)21(22)25-13-24-19/h2-4,9-11,13-14,17,23H,5-8,12H2,1H3,(H2,22,24,25)
InChIKeyJUIIYPRGWZKSCJ-UHFFFAOYSA-N
XLogP3.94
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[3-[[(4-methylcyclohexyl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 90017363
6-[3-[(cyclopentylamino)methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine;hydrochloride
CID 122602546
6-[3-fluoro-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 90054806
2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]methylamino]-N,N-dimethylacetamide;hydrochloride
CID 122602468
6-[3-[[(2-methyl-1-morpholin-4-ylpropan-2-yl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 90054620
6-[3-[[cyclopropyl(methyl)amino]methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 122602509
6-[3-fluoro-5-[(oxolan-3-ylmethylamino)methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 90055141
N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 54912714
6-(3-fluoro-5-methylphenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 90054705
N-cyclopropyl-6-[3-[(cyclopropylamino)methyl]phenyl]quinazolin-4-amine;pentanoic acid
CID 172789188
N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 116545369
(2S)-2-[2-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)phenyl]ethynyl]-2-hydroxy-5,5-dimethylcyclopentan-1-one
CID 155340705

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[(4-methylcyclohexyl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-[3-[[(4-methylcyclohexyl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine (CID 72705104) is 6-[3-[[(4-methylcyclohexyl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-[[(4-methylcyclohexyl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-[3-[[(4-methylcyclohexyl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine is CC1CCC(NCc2cccc(-c3ccc4ncnc(N)c4n3)c2)CC1.
What is the InChIKey of 6-[3-[[(4-methylcyclohexyl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is JUIIYPRGWZKSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-14-5-7-17(8-6-14)23-12-15-3-2-4-16(11-15)18-9-10-19-20(26-18)21(22)25-13-24-19/h2-4,9-11,13-14,17,23H,5-8,12H2,1H3,(H2,22,24,25).
What are the key properties of 6-[3-[[(4-methylcyclohexyl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine?
6-[3-[[(4-methylcyclohexyl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 347.47 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[(4-methylcyclohexyl)amino]methyl]phenyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 72705104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).