4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine

C15H26N4 — CID 80827161

IUPAC4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC(C)C2CCCCC2)c1C
InChIInChI=1S/C15H26N4/c1-4-16-14-11(2)15(18-10-17-14)19-12(3)13-8-6-5-7-9-13/h10,12-13H,4-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyIOPKBBVGQYCCGA-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.60
Rot. Bonds5

About 4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine

4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80827161) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80827161
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC(C)C2CCCCC2)c1C
InChIInChI=1S/C15H26N4/c1-4-16-14-11(2)15(18-10-17-14)19-12(3)13-8-6-5-7-9-13/h10,12-13H,4-9H2,1-3H3,(H2,16,17,18,19)
InChIKeyIOPKBBVGQYCCGA-UHFFFAOYSA-N
XLogP3.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(1-cyclohexylethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80826360
N-(1-cyclohexylethyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80918571
6-chloro-N-(1-cyclohexylethyl)-5-ethylpyrimidin-4-amine
CID 63728520
N-(1-cyclohexylethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 63540281
4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80791299
4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80761845
6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783228
6-chloro-N-(1-cyclopropylethyl)-5-methylpyrimidin-4-amine
CID 63730461
6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80789183
6-(cyclohexylmethoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80880319
4-N-(1-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80835008
N-(1-cyclohexylethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007115

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine (CID 80827161) is 4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine is CCNc1ncnc(NC(C)C2CCCCC2)c1C.
What is the InChIKey of 4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is IOPKBBVGQYCCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-16-14-11(2)15(18-10-17-14)19-12(3)13-8-6-5-7-9-13/h10,12-13H,4-9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80827161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).