4-N-(3-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine

C14H24N4 — CID 80840628

IUPAC4-N-(3-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
SMILESCCC1CCCC(Nc2cc(NC)nc(C)n2)C1
InChIInChI=1S/C14H24N4/c1-4-11-6-5-7-12(8-11)18-14-9-13(15-3)16-10(2)17-14/h9,11-12H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyQBWVIXVZGBTGOX-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.21
Rot. Bonds4

About 4-N-(3-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine

4-N-(3-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine (PubChem CID 80840628) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(3-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
PubChem CID80840628
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-(3-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
SMILESCCC1CCCC(Nc2cc(NC)nc(C)n2)C1
InChIInChI=1S/C14H24N4/c1-4-11-6-5-7-12(8-11)18-14-9-13(15-3)16-10(2)17-14/h9,11-12H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyQBWVIXVZGBTGOX-UHFFFAOYSA-N
XLogP3.21
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3-ethylcyclohexyl)pyridin-2-amine
CID 64744124
4-N-(2-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80803646
4-N-(3,5-dimethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80840343
4-N-(3-ethylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80841357
5-N-(3-ethylcyclohexyl)-3-N-methylpyridine-3,5-diamine
CID 104534936
N-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine
CID 115417081
N-(3-ethylcyclohexyl)-6-methoxypyridin-2-amine
CID 64742812
4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80803663
1-ethyl-N-(3-ethylcyclohexyl)imidazol-2-amine
CID 64742243
6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 80793429
3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138429
4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961149

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine (CID 80840628) is 4-N-(3-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine is CCC1CCCC(Nc2cc(NC)nc(C)n2)C1.
What is the InChIKey of 4-N-(3-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
The InChIKey is QBWVIXVZGBTGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-11-6-5-7-12(8-11)18-14-9-13(15-3)16-10(2)17-14/h9,11-12H,4-8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-(3-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine?
4-N-(3-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80840628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).