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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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).