5,6-dimethyl-2-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine

C13H22N4 — CID 66996218

IUPAC5,6-dimethyl-2-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
SMILESCc1nc(NC2CCC(C)CC2)nc(N)c1C
InChIInChI=1S/C13H22N4/c1-8-4-6-11(7-5-8)16-13-15-10(3)9(2)12(14)17-13/h8,11H,4-7H2,1-3H3,(H3,14,15,16,17)
InChIKeyQWIWXEJJBNSAIT-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.67
Rot. Bonds2

About 5,6-dimethyl-2-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine

5,6-dimethyl-2-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine (PubChem CID 66996218) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5,6-dimethyl-2-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5,6-dimethyl-2-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
PubChem CID66996218
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5,6-dimethyl-2-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
SMILESCc1nc(NC2CCC(C)CC2)nc(N)c1C
InChIInChI=1S/C13H22N4/c1-8-4-6-11(7-5-8)16-13-15-10(3)9(2)12(14)17-13/h8,11H,4-7H2,1-3H3,(H3,14,15,16,17)
InChIKeyQWIWXEJJBNSAIT-UHFFFAOYSA-N
XLogP2.67
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine?
The IUPAC name of 5,6-dimethyl-2-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine (CID 66996218) is 5,6-dimethyl-2-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5,6-dimethyl-2-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5,6-dimethyl-2-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine is Cc1nc(NC2CCC(C)CC2)nc(N)c1C.
What is the InChIKey of 5,6-dimethyl-2-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine?
The InChIKey is QWIWXEJJBNSAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-8-4-6-11(7-5-8)16-13-15-10(3)9(2)12(14)17-13/h8,11H,4-7H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 5,6-dimethyl-2-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine?
5,6-dimethyl-2-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 66996218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).