5-chloro-4-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine

C12H19ClN4 — CID 106811804

IUPAC5-chloro-4-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine
SMILESCC1CCCC(N(C)c2ncnc(N)c2Cl)C1
InChIInChI=1S/C12H19ClN4/c1-8-4-3-5-9(6-8)17(2)12-10(13)11(14)15-7-16-12/h7-9H,3-6H2,1-2H3,(H2,14,15,16)
InChIKeyYXCZKPIHAOBNHR-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.73
Rot. Bonds2

About 5-chloro-4-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine

5-chloro-4-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine (PubChem CID 106811804) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 5-chloro-4-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine
PubChem CID106811804
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name5-chloro-4-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine
SMILESCC1CCCC(N(C)c2ncnc(N)c2Cl)C1
InChIInChI=1S/C12H19ClN4/c1-8-4-3-5-9(6-8)17(2)12-10(13)11(14)15-7-16-12/h7-9H,3-6H2,1-2H3,(H2,14,15,16)
InChIKeyYXCZKPIHAOBNHR-UHFFFAOYSA-N
XLogP2.73
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-N-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,5-diamine
CID 142185263
6-[amino-(3-methylcyclohexyl)amino]pyrimidine-4,5-diamine
CID 139313934
5-chloro-4-[methyl-(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 137009267
2-chloro-N-methyl-N-(3-methylcyclohexyl)pyridin-4-amine
CID 102824064
5-amino-6-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 81440147
4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80774560
2,6-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine
CID 61444665
3-[methyl-(3-methylcyclohexyl)amino]pyrazine-2-carbonitrile
CID 62685040
6-chloro-N-methyl-N-(3-methylcyclohexyl)-3-nitropyridin-2-amine
CID 61447300
6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine
CID 63735945
3-chloro-5-(ethylaminomethyl)-N-methyl-N-(3-methylcyclohexyl)pyridin-2-amine
CID 62282878
6-chloro-N,5-dimethyl-N-(3-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970575

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine (CID 106811804) is 5-chloro-4-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine is CC1CCCC(N(C)c2ncnc(N)c2Cl)C1.
What is the InChIKey of 5-chloro-4-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine?
The InChIKey is YXCZKPIHAOBNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-8-4-3-5-9(6-8)17(2)12-10(13)11(14)15-7-16-12/h7-9H,3-6H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-chloro-4-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine?
5-chloro-4-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine has a molecular weight of 254.76 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-methyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106811804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).