[1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol

C13H22N4O — CID 103968719

IUPAC[1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESCc1cnc(N)nc1NCC1(CO)CCCCC1
InChIInChI=1S/C13H22N4O/c1-10-7-15-12(14)17-11(10)16-8-13(9-18)5-3-2-4-6-13/h7,18H,2-6,8-9H2,1H3,(H3,14,15,16,17)
InChIKeyNNFSTYRIZWWZFP-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.72
Rot. Bonds4

About [1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol

[1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 103968719) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
PubChem CID103968719
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESCc1cnc(N)nc1NCC1(CO)CCCCC1
InChIInChI=1S/C13H22N4O/c1-10-7-15-12(14)17-11(10)16-8-13(9-18)5-3-2-4-6-13/h7,18H,2-6,8-9H2,1H3,(H3,14,15,16,17)
InChIKeyNNFSTYRIZWWZFP-UHFFFAOYSA-N
XLogP1.72
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 80843021
4-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-diamine
CID 114113423
[1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 104507130
5-methyl-4-N-[(1-morpholin-4-ylcycloheptyl)methyl]pyrimidine-2,4-diamine
CID 72939687
3-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103341
[1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115366395
[1-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexyl]methanol
CID 112746327
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80843018
[1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968793
[1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 103968689
[1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]methanol
CID 103968588
[1-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]cyclobutyl]methanol
CID 131204109

Frequently Asked Questions

What is the IUPAC name of [1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (CID 103968719) is [1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol is Cc1cnc(N)nc1NCC1(CO)CCCCC1.
What is the InChIKey of [1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is NNFSTYRIZWWZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-7-15-12(14)17-11(10)16-8-13(9-18)5-3-2-4-6-13/h7,18H,2-6,8-9H2,1H3,(H3,14,15,16,17).
What are the key properties of [1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
[1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 250.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103968719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).