4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine

C14H24N4 — CID 80761845

IUPAC4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)C2CCCCC2)c1C
InChIInChI=1S/C14H24N4/c1-4-15-13-11(2)14(17-10-16-13)18(3)12-8-6-5-7-9-12/h10,12H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyIZARPEQLSJREOX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.99
Rot. Bonds4

About 4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine

4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80761845) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80761845
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)C2CCCCC2)c1C
InChIInChI=1S/C14H24N4/c1-4-15-13-11(2)14(17-10-16-13)18(3)12-8-6-5-7-9-12/h10,12H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyIZARPEQLSJREOX-UHFFFAOYSA-N
XLogP2.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80761918
4-N-(cyclohexylmethyl)-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80799644
4-N-(4-ethylcyclohexyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80779258
4-N-(4,4-dimethylcyclohexyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80839629
4-N-cyclopentyl-6-N-ethyl-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80993281
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80844060
4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80781625
4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80827161
6-N-ethyl-4-N,5-dimethyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80848832
6-chloro-N-cyclohexyl-N-methyl-5-propylpyrimidin-4-amine
CID 63735945
6-N-ethyl-4-N,5-dimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80792480
6-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-5-propylpyrimidine-4,6-diamine
CID 82746096

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine (CID 80761845) is 4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine is CCNc1ncnc(N(C)C2CCCCC2)c1C.
What is the InChIKey of 4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is IZARPEQLSJREOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-15-13-11(2)14(17-10-16-13)18(3)12-8-6-5-7-9-12/h10,12H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine?
4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80761845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).