5-(5-phenylpentyl)pyrimidine-2,4-diamine

C15H20N4 — CID 134120441

IUPAC5-(5-phenylpentyl)pyrimidine-2,4-diamine
SMILESNc1ncc(CCCCCc2ccccc2)c(N)n1
InChIInChI=1S/C15H20N4/c16-14-13(11-18-15(17)19-14)10-6-2-5-9-12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H4,16,17,18,19)
InChIKeyLTEJGXUBYXFQFZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.60
Rot. Bonds6

About 5-(5-phenylpentyl)pyrimidine-2,4-diamine

5-(5-phenylpentyl)pyrimidine-2,4-diamine (PubChem CID 134120441) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-(5-phenylpentyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(5-phenylpentyl)pyrimidine-2,4-diamine
PubChem CID134120441
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name5-(5-phenylpentyl)pyrimidine-2,4-diamine
SMILESNc1ncc(CCCCCc2ccccc2)c(N)n1
InChIInChI=1S/C15H20N4/c16-14-13(11-18-15(17)19-14)10-6-2-5-9-12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H4,16,17,18,19)
InChIKeyLTEJGXUBYXFQFZ-UHFFFAOYSA-N
XLogP2.60
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.60
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-(5-naphthalen-1-ylpentyl)pyrimidine-2,4-diamine
CID 15334563
5-hexylpyrimidine-2,4-diamine
CID 23086565
5-[[benzyl(propan-2-yl)amino]methyl]pyrimidine-2,4-diamine
CID 82213905
4-phenylbutylbenzene
CID 141301927
5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 10828475
5-(5-phenylpentyl)-1H-imidazol-2-amine
CID 46848173
(2,4-diaminopyrimidin-5-yl)methanethiol
CID 141014198
1-fluoro-2-(5-phenylpentyl)benzene
CID 90957769
5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 10752197
5-methyl-6-(4-phenylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 509248
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802

Frequently Asked Questions

What is the IUPAC name of 5-(5-phenylpentyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(5-phenylpentyl)pyrimidine-2,4-diamine (CID 134120441) is 5-(5-phenylpentyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(5-phenylpentyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(5-phenylpentyl)pyrimidine-2,4-diamine is Nc1ncc(CCCCCc2ccccc2)c(N)n1.
What is the InChIKey of 5-(5-phenylpentyl)pyrimidine-2,4-diamine?
The InChIKey is LTEJGXUBYXFQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-14-13(11-18-15(17)19-14)10-6-2-5-9-12-7-3-1-4-8-12/h1,3-4,7-8,11H,2,5-6,9-10H2,(H4,16,17,18,19).
What are the key properties of 5-(5-phenylpentyl)pyrimidine-2,4-diamine?
5-(5-phenylpentyl)pyrimidine-2,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-phenylpentyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 134120441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).