N-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine

C15H25N3 — CID 106012599

IUPACN-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCCCC2CCCC2)ncn1
InChIInChI=1S/C15H25N3/c1-2-6-14-11-15(18-12-17-14)16-10-5-9-13-7-3-4-8-13/h11-13H,2-10H2,1H3,(H,16,17,18)
InChIKeyKKLDIZOZCYUMHP-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.81
Rot. Bonds7

About N-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine

N-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine (PubChem CID 106012599) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine
PubChem CID106012599
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCCCC2CCCC2)ncn1
InChIInChI=1S/C15H25N3/c1-2-6-14-11-15(18-12-17-14)16-10-5-9-13-7-3-4-8-13/h11-13H,2-10H2,1H3,(H,16,17,18)
InChIKeyKKLDIZOZCYUMHP-UHFFFAOYSA-N
XLogP3.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentylethyl)-6-propylpyrimidin-4-amine
CID 61241874
4-N-(3-cyclopentylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014887
N-(cyclobutylmethyl)-6-propylpyrimidin-4-amine
CID 61241873
N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine
CID 61241880
2-(3-cyclopentylpropylamino)-6-propylpyridine-4-carboxylic acid
CID 106003912
4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine
CID 106014934
4-N-(2-cyclobutylethyl)-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine
CID 115263965
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186
6-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 79363066
1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine
CID 63251185
N-(3-cyclopentyloxypropyl)-6-ethylpyrimidin-4-amine
CID 72941041
N-(2-phenylethyl)-6-propylpyrimidin-4-amine
CID 61240140

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine (CID 106012599) is N-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine is CCCc1cc(NCCCC2CCCC2)ncn1.
What is the InChIKey of N-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine?
The InChIKey is KKLDIZOZCYUMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-6-14-11-15(18-12-17-14)16-10-5-9-13-7-3-4-8-13/h11-13H,2-10H2,1H3,(H,16,17,18).
What are the key properties of N-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine?
N-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine has a molecular weight of 247.39 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 106012599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).