2-[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol

C14H18N4O — CID 123931498

IUPAC2-[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESCc1cncc2cnc(NC3CCCCC3O)nc12
InChIInChI=1S/C14H18N4O/c1-9-6-15-7-10-8-16-14(18-13(9)10)17-11-4-2-3-5-12(11)19/h6-8,11-12,19H,2-5H2,1H3,(H,16,17,18)
InChIKeyKGURWSASDXSRNK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.05
Rot. Bonds2

About 2-[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol

2-[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol (PubChem CID 123931498) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol
PubChem CID123931498
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESCc1cncc2cnc(NC3CCCCC3O)nc12
InChIInChI=1S/C14H18N4O/c1-9-6-15-7-10-8-16-14(18-13(9)10)17-11-4-2-3-5-12(11)19/h6-8,11-12,19H,2-5H2,1H3,(H,16,17,18)
InChIKeyKGURWSASDXSRNK-UHFFFAOYSA-N
XLogP2.05
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-2-[(4,5-dimethylpyrimidin-2-yl)amino]cyclobutan-1-ol
CID 130703423
2-[[8-[5-(trifluoromethyl)-3H-inden-1-yl]pyrido[4,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 149217160
trans-(1S,2S)-2-[(4-amino-5-nitropyrimidin-2-yl)amino]cyclohexan-1-ol
CID 133495252
2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
CID 90038051
cis-(1R,2S)-2-N-[8-(1,3-dimethylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
CID 118274716
trans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol
CID 99857879
2-[(5,6-dimethylpyrazin-2-yl)amino]cyclohexan-1-ol
CID 114475697
cis-(1S,2R)-2-N-[8-(1-propan-2-ylpyrazol-4-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
CID 73057201
2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80827247
(1R)-2-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 134520466
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80919191
2-(pyrazin-2-ylamino)cyclohexan-1-ol
CID 62361109

Frequently Asked Questions

What is the IUPAC name of 2-[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol (CID 123931498) is 2-[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol is Cc1cncc2cnc(NC3CCCCC3O)nc12.
What is the InChIKey of 2-[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol?
The InChIKey is KGURWSASDXSRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-6-15-7-10-8-16-14(18-13(9)10)17-11-4-2-3-5-12(11)19/h6-8,11-12,19H,2-5H2,1H3,(H,16,17,18).
What are the key properties of 2-[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol?
2-[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol has a molecular weight of 258.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 123931498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).