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

C12H20N4O — CID 106368178

IUPAC[2-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESCc1cnc(N)nc1NC1CCCCC1CO
InChIInChI=1S/C12H20N4O/c1-8-6-14-12(13)16-11(8)15-10-5-3-2-4-9(10)7-17/h6,9-10,17H,2-5,7H2,1H3,(H3,13,14,15,16)
InChIKeyPCPNZMIPGAPVOQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.33
Rot. Bonds3

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

[2-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol (PubChem CID 106368178) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [2-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
PubChem CID106368178
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[2-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESCc1cnc(N)nc1NC1CCCCC1CO
InChIInChI=1S/C12H20N4O/c1-8-6-14-12(13)16-11(8)15-10-5-3-2-4-9(10)7-17/h6,9-10,17H,2-5,7H2,1H3,(H3,13,14,15,16)
InChIKeyPCPNZMIPGAPVOQ-UHFFFAOYSA-N
XLogP1.33
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 114178433
[2-[(2-aminoquinazolin-4-yl)amino]cyclohexyl]methanol
CID 106368258
5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
CID 80815292
[2-[(2-aminoquinazolin-4-yl)amino]cyclopentyl]methanol
CID 106368086
[2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol
CID 106359094
[2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol
CID 114179877
[2-[(3-aminoquinoxalin-2-yl)amino]cyclohexyl]methanol
CID 106367963
5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80815623
4-N-(4,4-dimethylcyclohexyl)-5-methylpyrimidine-2,4-diamine
CID 80837383
4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine
CID 80790461
5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine
CID 164630320
[2-(phthalazin-1-ylamino)cyclohexyl]methanol
CID 106362271

Frequently Asked Questions

What is the IUPAC name of [2-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol?
The IUPAC name of [2-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol (CID 106368178) is [2-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [2-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol is Cc1cnc(N)nc1NC1CCCCC1CO.
What is the InChIKey of [2-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol?
The InChIKey is PCPNZMIPGAPVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-6-14-12(13)16-11(8)15-10-5-3-2-4-9(10)7-17/h6,9-10,17H,2-5,7H2,1H3,(H3,13,14,15,16).
What are the key properties of [2-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol?
[2-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol has a molecular weight of 236.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 106368178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).