4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine

C13H22N4 — CID 80933363

IUPAC4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCC2CCCCC2)n1
InChIInChI=1S/C13H22N4/c1-2-12-16-11(14)8-13(17-12)15-9-10-6-4-3-5-7-10/h8,10H,2-7,9H2,1H3,(H3,14,15,16,17)
InChIKeyGFKQGUQLPUBNEN-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.61
Rot. Bonds4

About 4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine

4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine (PubChem CID 80933363) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine
PubChem CID80933363
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCC2CCCCC2)n1
InChIInChI=1S/C13H22N4/c1-2-12-16-11(14)8-13(17-12)15-9-10-6-4-3-5-7-10/h8,10H,2-7,9H2,1H3,(H3,14,15,16,17)
InChIKeyGFKQGUQLPUBNEN-UHFFFAOYSA-N
XLogP2.61
TPSA63.83 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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclopentylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933112
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
2-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 80934639
4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80783942
4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80782716
4-N-cyclobutyl-2-ethylpyrimidine-4,6-diamine
CID 80934753
4-N-(2,2-dicyclopropylethyl)-2-ethylpyrimidine-4,6-diamine
CID 80941585
4-N-[(3-methylcyclopentyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 107415976
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80934405
N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947878
2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80934958
6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine
CID 80940255

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine (CID 80933363) is 4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine is CCc1nc(N)cc(NCC2CCCCC2)n1.
What is the InChIKey of 4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine?
The InChIKey is GFKQGUQLPUBNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-12-16-11(14)8-13(17-12)15-9-10-6-4-3-5-7-10/h8,10H,2-7,9H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine?
4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80933363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).