4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine

C15H21N5 — CID 174775661

IUPAC4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(C)cc(-c2cc(NCCCN)nc(N)n2)c1
InChIInChI=1S/C15H21N5/c1-10-6-11(2)8-12(7-10)13-9-14(18-5-3-4-16)20-15(17)19-13/h6-9H,3-5,16H2,1-2H3,(H3,17,18,19,20)
InChIKeyDABVCEKHPLESQY-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.10
Rot. Bonds5

About 4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine

4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine (PubChem CID 174775661) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
PubChem CID174775661
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(C)cc(-c2cc(NCCCN)nc(N)n2)c1
InChIInChI=1S/C15H21N5/c1-10-6-11(2)8-12(7-10)13-9-14(18-5-3-4-16)20-15(17)19-13/h6-9H,3-5,16H2,1-2H3,(H3,17,18,19,20)
InChIKeyDABVCEKHPLESQY-UHFFFAOYSA-N
XLogP2.10
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine (CID 174775661) is 4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine is Cc1cc(C)cc(-c2cc(NCCCN)nc(N)n2)c1.
What is the InChIKey of 4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine?
The InChIKey is DABVCEKHPLESQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-10-6-11(2)8-12(7-10)13-9-14(18-5-3-4-16)20-15(17)19-13/h6-9H,3-5,16H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine?
4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 174775661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).