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

C15H26N4 — CID 106014954

IUPAC4-N-(3-cyclopentylpropyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NCCCC2CCCC2)n1
InChIInChI=1S/C15H26N4/c1-3-16-15-18-11-12(2)14(19-15)17-10-6-9-13-7-4-5-8-13/h11,13H,3-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyWRUZSXGAXGHGIY-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.60
Rot. Bonds7

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

4-N-(3-cyclopentylpropyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine (PubChem CID 106014954) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(3-cyclopentylpropyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-cyclopentylpropyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
PubChem CID106014954
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-(3-cyclopentylpropyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(NCCCC2CCCC2)n1
InChIInChI=1S/C15H26N4/c1-3-16-15-18-11-12(2)14(19-15)17-10-6-9-13-7-4-5-8-13/h11,13H,3-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyWRUZSXGAXGHGIY-UHFFFAOYSA-N
XLogP3.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-N-(2-cyclopentylethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80790917
2-N-ethyl-5-methyl-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 80831891
4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80769091
2-N-ethyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-2,4-diamine
CID 80840988
5-methyl-4-N-[2-(3-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80821828
4-N-(2-cyclohexylethyl)-5-methylpyrimidine-2,4-diamine
CID 80790461
2-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-2,4-diamine
CID 106042113
3-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80855633
4-N-(3-cyclopropylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330558
4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80783715
1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol
CID 113498180
4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80827960

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-cyclopentylpropyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-cyclopentylpropyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine (CID 106014954) is 4-N-(3-cyclopentylpropyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-cyclopentylpropyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-cyclopentylpropyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine is CCNc1ncc(C)c(NCCCC2CCCC2)n1.
What is the InChIKey of 4-N-(3-cyclopentylpropyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
The InChIKey is WRUZSXGAXGHGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-16-15-18-11-12(2)14(19-15)17-10-6-9-13-7-4-5-8-13/h11,13H,3-10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(3-cyclopentylpropyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine?
4-N-(3-cyclopentylpropyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.60, 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-N-ethyl-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 106014954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).