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

C14H22ClN3O — CID 80951072

IUPAC2-[[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)c1nc(Cl)cc(NCC2CCCCC2O)n1
InChIInChI=1S/C14H22ClN3O/c1-9(2)14-17-12(15)7-13(18-14)16-8-10-5-3-4-6-11(10)19/h7,9-11,19H,3-6,8H2,1-2H3,(H,16,17,18)
InChIKeyKHWLVZKXLSIOOK-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.22
Rot. Bonds4

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

2-[[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 80951072) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID80951072
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-[[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)c1nc(Cl)cc(NCC2CCCCC2O)n1
InChIInChI=1S/C14H22ClN3O/c1-9(2)14-17-12(15)7-13(18-14)16-8-10-5-3-4-6-11(10)19/h7,9-11,19H,3-6,8H2,1-2H3,(H,16,17,18)
InChIKeyKHWLVZKXLSIOOK-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-2-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

6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953834
2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80950997
2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 64911292
6-chloro-N-(3-cyclopentylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 106013954
6-chloro-2-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80950784
6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961821
[2-[[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 80959683
N-(2-bromoprop-2-enyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
CID 106195614
6-methyl-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 107419098
6-chloro-N-(1,4-dithian-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 113489554
2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 103886515
[2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80951232

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 80951072) is 2-[[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is CC(C)c1nc(Cl)cc(NCC2CCCCC2O)n1.
What is the InChIKey of 2-[[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is KHWLVZKXLSIOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-9(2)14-17-12(15)7-13(18-14)16-8-10-5-3-4-6-11(10)19/h7,9-11,19H,3-6,8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
2-[[(6-chloro-2-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-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 80951072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).