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

C11H17ClN4O — CID 114178433

IUPAC[2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESNc1cnc(Cl)nc1NC1CCCCC1CO
InChIInChI=1S/C11H17ClN4O/c12-11-14-5-8(13)10(16-11)15-9-4-2-1-3-7(9)6-17/h5,7,9,17H,1-4,6,13H2,(H,14,15,16)
InChIKeySIGVATCQDHZRSH-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.68
Rot. Bonds3

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

[2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol (PubChem CID 114178433) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is [2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol
PubChem CID114178433
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name[2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESNc1cnc(Cl)nc1NC1CCCCC1CO
InChIInChI=1S/C11H17ClN4O/c12-11-14-5-8(13)10(16-11)15-9-4-2-1-3-7(9)6-17/h5,7,9,17H,1-4,6,13H2,(H,14,15,16)
InChIKeySIGVATCQDHZRSH-UHFFFAOYSA-N
XLogP1.68
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol with MolForge

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Related Compounds

[2-[(3-amino-5-bromo-2-pyridinyl)amino]cyclohexyl]methanol
CID 106359094
[2-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106368178
5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine
CID 79075996
[2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol
CID 106364152
[2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 79076621
[2-[(3-aminoquinoxalin-2-yl)amino]cyclohexyl]methanol
CID 106367963
[2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol
CID 114179877
2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine
CID 88589836
[2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368316
[2-[(2-aminoquinazolin-4-yl)amino]cyclohexyl]methanol
CID 106368258
5-chloro-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746838
[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106364141

Frequently Asked Questions

What is the IUPAC name of [2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol?
The IUPAC name of [2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol (CID 114178433) is [2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol is Nc1cnc(Cl)nc1NC1CCCCC1CO.
What is the InChIKey of [2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol?
The InChIKey is SIGVATCQDHZRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c12-11-14-5-8(13)10(16-11)15-9-4-2-1-3-7(9)6-17/h5,7,9,17H,1-4,6,13H2,(H,14,15,16).
What are the key properties of [2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol?
[2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol has a molecular weight of 256.74 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 114178433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).