4-N-(3,4-dimethylcyclohexyl)-2-ethylpyrimidine-4,6-diamine

C14H24N4 — CID 80941485

IUPAC4-N-(3,4-dimethylcyclohexyl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NC2CCC(C)C(C)C2)n1
InChIInChI=1S/C14H24N4/c1-4-13-17-12(15)8-14(18-13)16-11-6-5-9(2)10(3)7-11/h8-11H,4-7H2,1-3H3,(H3,15,16,17,18)
InChIKeyMOOKSQWUDWCQPR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.86
Rot. Bonds3

About 4-N-(3,4-dimethylcyclohexyl)-2-ethylpyrimidine-4,6-diamine

4-N-(3,4-dimethylcyclohexyl)-2-ethylpyrimidine-4,6-diamine (PubChem CID 80941485) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(3,4-dimethylcyclohexyl)-2-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethylcyclohexyl)-2-ethylpyrimidine-4,6-diamine
PubChem CID80941485
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-(3,4-dimethylcyclohexyl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NC2CCC(C)C(C)C2)n1
InChIInChI=1S/C14H24N4/c1-4-13-17-12(15)8-14(18-13)16-11-6-5-9(2)10(3)7-11/h8-11H,4-7H2,1-3H3,(H3,15,16,17,18)
InChIKeyMOOKSQWUDWCQPR-UHFFFAOYSA-N
XLogP2.86
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclobutyl-2-ethylpyrimidine-4,6-diamine
CID 80934753
4-N-cyclopropyl-2-propylpyrimidine-4,6-diamine
CID 80945616
4-N-(2,2-dimethylcyclopropyl)-2-ethylpyrimidine-4,6-diamine
CID 80935033
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80934405
4-N-(3,4-dimethylcyclohexyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80841556
N-(3,4-dimethylcyclohexyl)-2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007147
N-(3,4-dimethylcyclohexyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80915423
[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 104924452
4-N-(cyclopentylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933112
6-bromo-2-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 104963516
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione
CID 80941106
4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine
CID 113401294

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylcyclohexyl)-2-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,4-dimethylcyclohexyl)-2-ethylpyrimidine-4,6-diamine (CID 80941485) is 4-N-(3,4-dimethylcyclohexyl)-2-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,4-dimethylcyclohexyl)-2-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,4-dimethylcyclohexyl)-2-ethylpyrimidine-4,6-diamine is CCc1nc(N)cc(NC2CCC(C)C(C)C2)n1.
What is the InChIKey of 4-N-(3,4-dimethylcyclohexyl)-2-ethylpyrimidine-4,6-diamine?
The InChIKey is MOOKSQWUDWCQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-13-17-12(15)8-14(18-13)16-11-6-5-9(2)10(3)7-11/h8-11H,4-7H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 4-N-(3,4-dimethylcyclohexyl)-2-ethylpyrimidine-4,6-diamine?
4-N-(3,4-dimethylcyclohexyl)-2-ethylpyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethylcyclohexyl)-2-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80941485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).