2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine

C13H22N4 — CID 80815452

IUPAC2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCC2CCCCC2C)n1
InChIInChI=1S/C13H22N4/c1-9-5-3-4-6-11(9)8-15-13-7-12(14)16-10(2)17-13/h7,9,11H,3-6,8H2,1-2H3,(H3,14,15,16,17)
InChIKeyHETYSEOQSBZWIJ-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.61
Rot. Bonds3

About 2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine

2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine (PubChem CID 80815452) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine
PubChem CID80815452
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine
SMILESCc1nc(N)cc(NCC2CCCCC2C)n1
InChIInChI=1S/C13H22N4/c1-9-5-3-4-6-11(9)8-15-13-7-12(14)16-10(2)17-13/h7,9,11H,3-6,8H2,1-2H3,(H3,14,15,16,17)
InChIKeyHETYSEOQSBZWIJ-UHFFFAOYSA-N
XLogP2.61
TPSA63.83 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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(6-amino-2-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80855981
6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 107421241
6-ethyl-2-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419264
6-ethoxy-2-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419086
2-hydrazinyl-6-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107421322
2-tert-butyl-6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80964097
4-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,5-diamine
CID 107416554
6-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80814880
6-hydrazinyl-N-[(2-methylcyclohexyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775566
6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961821
6-methyl-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 107419098
4-N-cyclooctyl-2-methylpyrimidine-4,6-diamine
CID 80786651

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine (CID 80815452) is 2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine is Cc1nc(N)cc(NCC2CCCCC2C)n1.
What is the InChIKey of 2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is HETYSEOQSBZWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9-5-3-4-6-11(9)8-15-13-7-12(14)16-10(2)17-13/h7,9,11H,3-6,8H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine?
2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80815452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).