4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine

C15H26N4 — CID 106014934

IUPAC4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCCCC2CCCC2)n1
InChIInChI=1S/C15H26N4/c1-2-6-14-18-13(16)11-15(19-14)17-10-5-9-12-7-3-4-8-12/h11-12H,2-10H2,1H3,(H3,16,17,18,19)
InChIKeyAJUMKXLINYSGIL-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.39
Rot. Bonds7

About 4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine

4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 106014934) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine
PubChem CID106014934
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCCCC2CCCC2)n1
InChIInChI=1S/C15H26N4/c1-2-6-14-18-13(16)11-15(19-14)17-10-5-9-12-7-3-4-8-12/h11-12H,2-10H2,1H3,(H3,16,17,18,19)
InChIKeyAJUMKXLINYSGIL-UHFFFAOYSA-N
XLogP3.39
TPSA63.83 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 ≤ 53.39
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

2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
CID 106015132
4-N-(2-cyclopentylethyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80955141
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine
CID 80946334
4-N-(3-cyclopentylpropyl)-6-N-ethyl-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 106015138
4-N-(3-cyclopentylpropyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 106014890
4-N-[(3-methylcyclopentyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 107415976
4-N-(cyclopentylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933112
4-N-cyclopropyl-2-propylpyrimidine-4,6-diamine
CID 80945616
N-(3-cyclopentylpropyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 106012944
2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid
CID 106003912

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine (CID 106014934) is 4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(NCCCC2CCCC2)n1.
What is the InChIKey of 4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is AJUMKXLINYSGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-2-6-14-18-13(16)11-15(19-14)17-10-5-9-12-7-3-4-8-12/h11-12H,2-10H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine?
4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.39, 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-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 106014934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).