[2-[[[2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol

C13H22N4O — CID 80856693

IUPAC[2-[[[2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
SMILESCNc1nccc(NCC2CCCCC2CO)n1
InChIInChI=1S/C13H22N4O/c1-14-13-15-7-6-12(17-13)16-8-10-4-2-3-5-11(10)9-18/h6-7,10-11,18H,2-5,8-9H2,1H3,(H2,14,15,16,17)
InChIKeyNAKCCPNJZKCJHP-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.73
Rot. Bonds5

About [2-[[[2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol

[2-[[[2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol (PubChem CID 80856693) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [2-[[[2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[[2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
PubChem CID80856693
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[2-[[[2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
SMILESCNc1nccc(NCC2CCCCC2CO)n1
InChIInChI=1S/C13H22N4O/c1-14-13-15-7-6-12(17-13)16-8-10-4-2-3-5-11(10)9-18/h6-7,10-11,18H,2-5,8-9H2,1H3,(H2,14,15,16,17)
InChIKeyNAKCCPNJZKCJHP-UHFFFAOYSA-N
XLogP1.73
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[[[2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol 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

[2-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80925618
4-N-[(4-ethylcyclohexyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80818859
[2-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 80856232
2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80811984
4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80822566
[2-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 107874762
[2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103328659
[2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
CID 106538974
3,3-dimethyl-4-[[2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106149831
3-[[2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80787004
[2-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 106772357
[2-[[(5-bromoisoquinolin-1-yl)amino]methyl]cyclohexyl]methanol
CID 106538976

Frequently Asked Questions

What is the IUPAC name of [2-[[[2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol?
The IUPAC name of [2-[[[2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol (CID 80856693) is [2-[[[2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[[[2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[[[2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol is CNc1nccc(NCC2CCCCC2CO)n1.
What is the InChIKey of [2-[[[2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol?
The InChIKey is NAKCCPNJZKCJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-14-13-15-7-6-12(17-13)16-8-10-4-2-3-5-11(10)9-18/h6-7,10-11,18H,2-5,8-9H2,1H3,(H2,14,15,16,17).
What are the key properties of [2-[[[2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol?
[2-[[[2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol has a molecular weight of 250.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 80856693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).