2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol

C15H24ClN3O — CID 102633805

IUPAC2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
SMILESCCCc1nc(Cl)c(C)c(N(C)C2CCCCC2O)n1
InChIInChI=1S/C15H24ClN3O/c1-4-7-13-17-14(16)10(2)15(18-13)19(3)11-8-5-6-9-12(11)20/h11-12,20H,4-9H2,1-3H3
InChIKeyNIPWOCFUFMTJNZ-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.13
Rot. Bonds4

About 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol

2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol (PubChem CID 102633805) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
PubChem CID102633805
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
SMILESCCCc1nc(Cl)c(C)c(N(C)C2CCCCC2O)n1
InChIInChI=1S/C15H24ClN3O/c1-4-7-13-17-14(16)10(2)15(18-13)19(3)11-8-5-6-9-12(11)20/h11-12,20H,4-9H2,1-3H3
InChIKeyNIPWOCFUFMTJNZ-UHFFFAOYSA-N
XLogP3.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(4,4-dimethylcyclohexyl)-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80970871
6-chloro-N,5-dimethyl-N-(1-methylpiperidin-3-yl)-2-propylpyrimidin-4-amine
CID 80972660
2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640210
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80972579
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102865835
6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80978847
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol
CID 102640215
4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine
CID 80974080
6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine
CID 80970697
4-N-cyclopentyl-6-N-ethyl-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80993281
N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995620
6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80979316

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol (CID 102633805) is 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol is CCCc1nc(Cl)c(C)c(N(C)C2CCCCC2O)n1.
What is the InChIKey of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
The InChIKey is NIPWOCFUFMTJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-7-13-17-14(16)10(2)15(18-13)19(3)11-8-5-6-9-12(11)20/h11-12,20H,4-9H2,1-3H3.
What are the key properties of 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol?
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol has a molecular weight of 297.83 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102633805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).