6-N-ethyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine

C13H22N4 — CID 80782563

IUPAC6-N-ethyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCCC(C)C2)ncn1
InChIInChI=1S/C13H22N4/c1-3-14-12-8-13(16-9-15-12)17-11-6-4-5-10(2)7-11/h8-11H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyDXKBPDCXLFMHFE-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.90
Rot. Bonds4

About 6-N-ethyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine

6-N-ethyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine (PubChem CID 80782563) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine
PubChem CID80782563
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-N-ethyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCCC(C)C2)ncn1
InChIInChI=1S/C13H22N4/c1-3-14-12-8-13(16-9-15-12)17-11-6-4-5-10(2)7-11/h8-11H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyDXKBPDCXLFMHFE-UHFFFAOYSA-N
XLogP2.90
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine (CID 80782563) is 6-N-ethyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine is CCNc1cc(NC2CCCC(C)C2)ncn1.
What is the InChIKey of 6-N-ethyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine?
The InChIKey is DXKBPDCXLFMHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-14-12-8-13(16-9-15-12)17-11-6-4-5-10(2)7-11/h8-11H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-N-ethyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(3-methylcyclohexyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80782563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).