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

C13H22N4 — CID 80815368

IUPAC5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1NCC1CCCCC1C
InChIInChI=1S/C13H22N4/c1-9-5-3-4-6-11(9)7-15-13-10(2)12(14)16-8-17-13/h8-9,11H,3-7H2,1-2H3,(H3,14,15,16,17)
InChIKeyDKDNKPXEXLZIAV-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.61
Rot. Bonds3

About 5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine

5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine (PubChem CID 80815368) 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-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine
PubChem CID80815368
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1NCC1CCCCC1C
InChIInChI=1S/C13H22N4/c1-9-5-3-4-6-11(9)7-15-13-10(2)12(14)16-8-17-13/h8-9,11H,3-7H2,1-2H3,(H3,14,15,16,17)
InChIKeyDKDNKPXEXLZIAV-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-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80841458
6-hydrazinyl-5-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107421319
4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine
CID 107416529
5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
CID 80815292
5-methyl-2-N-[(2-methylcyclohexyl)methyl]pyridine-2,3-diamine
CID 66278219
7-methyl-N-[(2-methylcyclohexyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686404
5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 105369322
3-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,5-diamine
CID 107416546
6-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,3-diamine
CID 107416531
3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one
CID 115657213
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
CID 55009920
5-methyl-3-N-[(2-methylcyclohexyl)methyl]benzene-1,3-diamine
CID 112647560

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine (CID 80815368) is 5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine is Cc1c(N)ncnc1NCC1CCCCC1C.
What is the InChIKey of 5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is DKDNKPXEXLZIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9-5-3-4-6-11(9)7-15-13-10(2)12(14)16-8-17-13/h8-9,11H,3-7H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine?
5-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 5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80815368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).