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

C13H22N4 — CID 80815292

IUPAC5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCC1CCCCC1C
InChIInChI=1S/C13H22N4/c1-9-5-3-4-6-11(9)8-15-12-10(2)7-16-13(14)17-12/h7,9,11H,3-6,8H2,1-2H3,(H3,14,15,16,17)
InChIKeyAEJLCGFIRUZSPP-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.61
Rot. Bonds3

About 5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-diamine

5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-diamine (PubChem CID 80815292) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
PubChem CID80815292
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCC1CCCCC1C
InChIInChI=1S/C13H22N4/c1-9-5-3-4-6-11(9)8-15-12-10(2)7-16-13(14)17-12/h7,9,11H,3-6,8H2,1-2H3,(H3,14,15,16,17)
InChIKeyAEJLCGFIRUZSPP-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

5-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80815623
3-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,5-diamine
CID 107416546
5-methyl-2-N-[(2-methylcyclohexyl)methyl]pyridine-2,3-diamine
CID 66278219
4-N-[(2-ethyloxolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 114106998
5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine
CID 80815368
4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine
CID 80790461
5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80811968
[2-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106368178
4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine
CID 107416529
6-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,3-diamine
CID 107416531
4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 107421156
4-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,5-diamine
CID 107416554

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-diamine (CID 80815292) is 5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-diamine is Cc1cnc(N)nc1NCC1CCCCC1C.
What is the InChIKey of 5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is AEJLCGFIRUZSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9-5-3-4-6-11(9)8-15-12-10(2)7-16-13(14)17-12/h7,9,11H,3-6,8H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-diamine?
5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-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 5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80815292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).