6-chloro-N-(4,4-dimethylcyclohexyl)-N,5-dimethyl-2-propylpyrimidin-4-amine

C17H28ClN3 — CID 80970871

IUPAC6-chloro-N-(4,4-dimethylcyclohexyl)-N,5-dimethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(N(C)C2CCC(C)(C)CC2)n1
InChIInChI=1S/C17H28ClN3/c1-6-7-14-19-15(18)12(2)16(20-14)21(5)13-8-10-17(3,4)11-9-13/h13H,6-11H2,1-5H3
InChIKeyHTZBABZOYGHLOF-UHFFFAOYSA-N
MW309.89 g/mol
LogP4.80
Rot. Bonds4

About 6-chloro-N-(4,4-dimethylcyclohexyl)-N,5-dimethyl-2-propylpyrimidin-4-amine

6-chloro-N-(4,4-dimethylcyclohexyl)-N,5-dimethyl-2-propylpyrimidin-4-amine (PubChem CID 80970871) has the molecular formula C17H28ClN3 and a molecular weight of 309.89 g/mol. Its IUPAC name is 6-chloro-N-(4,4-dimethylcyclohexyl)-N,5-dimethyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4,4-dimethylcyclohexyl)-N,5-dimethyl-2-propylpyrimidin-4-amine
PubChem CID80970871
Molecular FormulaC17H28ClN3
Molecular Weight309.89 g/mol
Exact Mass309.20
IUPAC Name6-chloro-N-(4,4-dimethylcyclohexyl)-N,5-dimethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(N(C)C2CCC(C)(C)CC2)n1
InChIInChI=1S/C17H28ClN3/c1-6-7-14-19-15(18)12(2)16(20-14)21(5)13-8-10-17(3,4)11-9-13/h13H,6-11H2,1-5H3
InChIKeyHTZBABZOYGHLOF-UHFFFAOYSA-N
XLogP4.80
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.89
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102633805
6-chloro-N,5-dimethyl-N-(1-methylpiperidin-3-yl)-2-propylpyrimidin-4-amine
CID 80972660
6-chloro-2-ethyl-N,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine
CID 80970385
6-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80978847
4-N-cyclopentyl-6-N-ethyl-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80993281
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102865835
6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80970845
6-chloro-2-ethyl-N,5-dimethyl-N-(1-methylpiperidin-3-yl)pyrimidin-4-amine
CID 80971369
N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995620
6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine
CID 80977700
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80972297
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80970815

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-dimethylcyclohexyl)-N,5-dimethyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4,4-dimethylcyclohexyl)-N,5-dimethyl-2-propylpyrimidin-4-amine (CID 80970871) is 6-chloro-N-(4,4-dimethylcyclohexyl)-N,5-dimethyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4,4-dimethylcyclohexyl)-N,5-dimethyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4,4-dimethylcyclohexyl)-N,5-dimethyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(N(C)C2CCC(C)(C)CC2)n1.
What is the InChIKey of 6-chloro-N-(4,4-dimethylcyclohexyl)-N,5-dimethyl-2-propylpyrimidin-4-amine?
The InChIKey is HTZBABZOYGHLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-6-7-14-19-15(18)12(2)16(20-14)21(5)13-8-10-17(3,4)11-9-13/h13H,6-11H2,1-5H3.
What are the key properties of 6-chloro-N-(4,4-dimethylcyclohexyl)-N,5-dimethyl-2-propylpyrimidin-4-amine?
6-chloro-N-(4,4-dimethylcyclohexyl)-N,5-dimethyl-2-propylpyrimidin-4-amine has a molecular weight of 309.89 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4-dimethylcyclohexyl)-N,5-dimethyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80970871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).