5-(5-naphthalen-1-ylpentyl)pyrimidine-2,4-diamine

C19H22N4 — CID 15334563

IUPAC5-(5-naphthalen-1-ylpentyl)pyrimidine-2,4-diamine
SMILESNc1ncc(CCCCCc2cccc3ccccc23)c(N)n1
InChIInChI=1S/C19H22N4/c20-18-16(13-22-19(21)23-18)9-3-1-2-7-14-10-6-11-15-8-4-5-12-17(14)15/h4-6,8,10-13H,1-3,7,9H2,(H4,20,21,22,23)
InChIKeyQIKMZTIMDQZYDZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.75
Rot. Bonds6

About 5-(5-naphthalen-1-ylpentyl)pyrimidine-2,4-diamine

5-(5-naphthalen-1-ylpentyl)pyrimidine-2,4-diamine (PubChem CID 15334563) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-(5-naphthalen-1-ylpentyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(5-naphthalen-1-ylpentyl)pyrimidine-2,4-diamine
PubChem CID15334563
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name5-(5-naphthalen-1-ylpentyl)pyrimidine-2,4-diamine
SMILESNc1ncc(CCCCCc2cccc3ccccc23)c(N)n1
InChIInChI=1S/C19H22N4/c20-18-16(13-22-19(21)23-18)9-3-1-2-7-14-10-6-11-15-8-4-5-12-17(14)15/h4-6,8,10-13H,1-3,7,9H2,(H4,20,21,22,23)
InChIKeyQIKMZTIMDQZYDZ-UHFFFAOYSA-N
XLogP3.75
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.75
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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Frequently Asked Questions

What is the IUPAC name of 5-(5-naphthalen-1-ylpentyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(5-naphthalen-1-ylpentyl)pyrimidine-2,4-diamine (CID 15334563) is 5-(5-naphthalen-1-ylpentyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(5-naphthalen-1-ylpentyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(5-naphthalen-1-ylpentyl)pyrimidine-2,4-diamine is Nc1ncc(CCCCCc2cccc3ccccc23)c(N)n1.
What is the InChIKey of 5-(5-naphthalen-1-ylpentyl)pyrimidine-2,4-diamine?
The InChIKey is QIKMZTIMDQZYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c20-18-16(13-22-19(21)23-18)9-3-1-2-7-14-10-6-11-15-8-4-5-12-17(14)15/h4-6,8,10-13H,1-3,7,9H2,(H4,20,21,22,23).
What are the key properties of 5-(5-naphthalen-1-ylpentyl)pyrimidine-2,4-diamine?
5-(5-naphthalen-1-ylpentyl)pyrimidine-2,4-diamine has a molecular weight of 306.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-naphthalen-1-ylpentyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 15334563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).