6-chloro-N-(3,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine

C15H24ClN3 — CID 80951804

IUPAC6-chloro-N-(3,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NC2CCC(C)C(C)C2)n1
InChIInChI=1S/C15H24ClN3/c1-9(2)15-18-13(16)8-14(19-15)17-12-6-5-10(3)11(4)7-12/h8-12H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyCVMRTQWSOGBLAC-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.49
Rot. Bonds3

About 6-chloro-N-(3,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(3,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80951804) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 6-chloro-N-(3,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80951804
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name6-chloro-N-(3,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(NC2CCC(C)C(C)C2)n1
InChIInChI=1S/C15H24ClN3/c1-9(2)15-18-13(16)8-14(19-15)17-12-6-5-10(3)11(4)7-12/h8-12H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyCVMRTQWSOGBLAC-UHFFFAOYSA-N
XLogP4.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine (CID 80951804) is 6-chloro-N-(3,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Cl)cc(NC2CCC(C)C(C)C2)n1.
What is the InChIKey of 6-chloro-N-(3,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is CVMRTQWSOGBLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-9(2)15-18-13(16)8-14(19-15)17-12-6-5-10(3)11(4)7-12/h8-12H,5-7H2,1-4H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(3,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(3,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 281.83 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80951804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).