2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C14H22ClN3O — CID 64911092

IUPAC2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)c1c(Cl)ncnc1NCC1CCCCC1O
InChIInChI=1S/C14H22ClN3O/c1-9(2)12-13(15)17-8-18-14(12)16-7-10-5-3-4-6-11(10)19/h8-11,19H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyHFHGDXKILSUKNA-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.22
Rot. Bonds4

About 2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 64911092) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID64911092
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)c1c(Cl)ncnc1NCC1CCCCC1O
InChIInChI=1S/C14H22ClN3O/c1-9(2)12-13(15)17-8-18-14(12)16-7-10-5-3-4-6-11(10)19/h8-11,19H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyHFHGDXKILSUKNA-UHFFFAOYSA-N
XLogP3.22
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]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

2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80915508
2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 80924426
6-chloro-5-propan-2-yl-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 80585875
2-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80841458
2-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106812142
6-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 106193279
6-chloro-N-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 55229705
1-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65121518
N-but-2-ynyl-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 106195802
6-chloro-N-(2,2-dimethylbutyl)-5-propan-2-ylpyrimidin-4-amine
CID 103463567
6-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]hexan-1-ol
CID 107854050
2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethyl carbamate
CID 83203057

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 64911092) is 2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is CC(C)c1c(Cl)ncnc1NCC1CCCCC1O.
What is the InChIKey of 2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is HFHGDXKILSUKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-9(2)12-13(15)17-8-18-14(12)16-7-10-5-3-4-6-11(10)19/h8-11,19H,3-7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 283.80 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64911092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).