4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine

C13H23N5 — CID 80803663

IUPAC4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine
SMILESCCC1CCC(Nc2cc(NC)nc(N)n2)CC1
InChIInChI=1S/C13H23N5/c1-3-9-4-6-10(7-5-9)16-12-8-11(15-2)17-13(14)18-12/h8-10H,3-7H2,1-2H3,(H4,14,15,16,17,18)
InChIKeyJUVUJRCSBLSLLZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.48
Rot. Bonds4

About 4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine

4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine (PubChem CID 80803663) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine
PubChem CID80803663
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine
SMILESCCC1CCC(Nc2cc(NC)nc(N)n2)CC1
InChIInChI=1S/C13H23N5/c1-3-9-4-6-10(7-5-9)16-12-8-11(15-2)17-13(14)18-12/h8-10H,3-7H2,1-2H3,(H4,14,15,16,17,18)
InChIKeyJUVUJRCSBLSLLZ-UHFFFAOYSA-N
XLogP2.48
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961149
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine
CID 80782611
6-N-(4-ethylcyclohexyl)pyridine-2,6-diamine
CID 80647393
2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine
CID 80961016
4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961252
4-N-(4-ethylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771197
N-(4-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine
CID 80897461
4-N-(3-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80840628
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080
4-N-(4-ethylcyclohexyl)quinazoline-2,4-diamine
CID 80803766
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826322

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine (CID 80803663) is 4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine is CCC1CCC(Nc2cc(NC)nc(N)n2)CC1.
What is the InChIKey of 4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is JUVUJRCSBLSLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-9-4-6-10(7-5-9)16-12-8-11(15-2)17-13(14)18-12/h8-10H,3-7H2,1-2H3,(H4,14,15,16,17,18).
What are the key properties of 4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine?
4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 249.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80803663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).