6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine

C13H22N4 — CID 80771823

IUPAC6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NC2CCC(C)CC2)c1C
InChIInChI=1S/C13H22N4/c1-9-4-6-11(7-5-9)17-13-10(2)12(14-3)15-8-16-13/h8-9,11H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyMRVORSFYGSQXME-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.82
Rot. Bonds3

About 6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine

6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine (PubChem CID 80771823) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
PubChem CID80771823
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(NC2CCC(C)CC2)c1C
InChIInChI=1S/C13H22N4/c1-9-4-6-11(7-5-9)17-13-10(2)12(14-3)15-8-16-13/h8-9,11H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyMRVORSFYGSQXME-UHFFFAOYSA-N
XLogP2.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,5-dimethylcyclohexyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80840621
4-N-(3-methoxycyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114118400
6-N-methyl-4-N-(4-methylcyclohexyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80772693
6-N,5-dimethyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
CID 80803944
4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80804529
5-ethyl-6-hydrazinyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80944076
6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 63729756
6-hydrazinyl-5-methyl-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 80894250
4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80803017
4-N-(3,4-dimethylcyclohexyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80840348
4-N-cyclopentyl-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80769676
4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80841234

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine (CID 80771823) is 6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine is CNc1ncnc(NC2CCC(C)CC2)c1C.
What is the InChIKey of 6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine?
The InChIKey is MRVORSFYGSQXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9-4-6-11(7-5-9)17-13-10(2)12(14-3)15-8-16-13/h8-9,11H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80771823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).