2-N,4-N-dipentylpyrido[2,3-d]pyrimidine-2,4-diamine

C17H27N5 — CID 56661929

IUPAC2-N,4-N-dipentylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCCCCCNc1nc(NCCCCC)c2cccnc2n1
InChIInChI=1S/C17H27N5/c1-3-5-7-11-18-15-14-10-9-13-19-16(14)22-17(21-15)20-12-8-6-4-2/h9-10,13H,3-8,11-12H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyRMOLQIBSPSVBOW-UHFFFAOYSA-N
MW301.44 g/mol
LogP4.23
Rot. Bonds10

About 2-N,4-N-dipentylpyrido[2,3-d]pyrimidine-2,4-diamine

2-N,4-N-dipentylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 56661929) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 2-N,4-N-dipentylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dipentylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID56661929
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name2-N,4-N-dipentylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCCCCCNc1nc(NCCCCC)c2cccnc2n1
InChIInChI=1S/C17H27N5/c1-3-5-7-11-18-15-14-10-9-13-19-16(14)22-17(21-15)20-12-8-6-4-2/h9-10,13H,3-8,11-12H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyRMOLQIBSPSVBOW-UHFFFAOYSA-N
XLogP4.23
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
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 2-N,4-N-dipentylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dipentylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 56661929) is 2-N,4-N-dipentylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dipentylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dipentylpyrido[2,3-d]pyrimidine-2,4-diamine is CCCCCNc1nc(NCCCCC)c2cccnc2n1.
What is the InChIKey of 2-N,4-N-dipentylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is RMOLQIBSPSVBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c1-3-5-7-11-18-15-14-10-9-13-19-16(14)22-17(21-15)20-12-8-6-4-2/h9-10,13H,3-8,11-12H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 2-N,4-N-dipentylpyrido[2,3-d]pyrimidine-2,4-diamine?
2-N,4-N-dipentylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 301.44 g/mol, XLogP of 4.23, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dipentylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 56661929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).