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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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).