4-N-(3-cyclopentylpropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine

C16H28N4 — CID 106015127

IUPAC4-N-(3-cyclopentylpropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCCCC2CCCC2)n1
InChIInChI=1S/C16H28N4/c1-4-14-19-15(17-3)12(2)16(20-14)18-11-7-10-13-8-5-6-9-13/h13H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyWCXIAZRRKBYPJP-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.77
Rot. Bonds7

About 4-N-(3-cyclopentylpropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-(3-cyclopentylpropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 106015127) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-(3-cyclopentylpropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-cyclopentylpropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID106015127
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-(3-cyclopentylpropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCCCC2CCCC2)n1
InChIInChI=1S/C16H28N4/c1-4-14-19-15(17-3)12(2)16(20-14)18-11-7-10-13-8-5-6-9-13/h13H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyWCXIAZRRKBYPJP-UHFFFAOYSA-N
XLogP3.77
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-cyclohexylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80986153
2-ethyl-6-N,5-dimethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 80984635
N-(3-cyclopentylpropyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 106012944
4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981884
4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994212
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
2-ethyl-6-N,5-dimethyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine
CID 115523193
N-(3-cyclopentylpropyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 114137258
4-N-(2,2-dicyclopropylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80992371
4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80790570
2-ethyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80981209
4-N-cycloheptyl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80985784

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-cyclopentylpropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-cyclopentylpropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine (CID 106015127) is 4-N-(3-cyclopentylpropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-cyclopentylpropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-cyclopentylpropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(NCCCC2CCCC2)n1.
What is the InChIKey of 4-N-(3-cyclopentylpropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is WCXIAZRRKBYPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-14-19-15(17-3)12(2)16(20-14)18-11-7-10-13-8-5-6-9-13/h13H,4-11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3-cyclopentylpropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-(3-cyclopentylpropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-cyclopentylpropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 106015127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).