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

C11H15N5 — CID 122598686

IUPAC4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc2cccnc12
InChIInChI=1S/C11H15N5/c1-2-3-6-14-10-9-8(5-4-7-13-9)15-11(12)16-10/h4-5,7H,2-3,6H2,1H3,(H3,12,14,15,16)
InChIKeyMUBXVYTYGXXZQT-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.82
Rot. Bonds4

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

4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 122598686) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID122598686
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc2cccnc12
InChIInChI=1S/C11H15N5/c1-2-3-6-14-10-9-8(5-4-7-13-9)15-11(12)16-10/h4-5,7H,2-3,6H2,1H3,(H3,12,14,15,16)
InChIKeyMUBXVYTYGXXZQT-UHFFFAOYSA-N
XLogP1.82
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.82
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 4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine (CID 122598686) is 4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine is CCCCNc1nc(N)nc2cccnc12.
What is the InChIKey of 4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is MUBXVYTYGXXZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-2-3-6-14-10-9-8(5-4-7-13-9)15-11(12)16-10/h4-5,7H,2-3,6H2,1H3,(H3,12,14,15,16).
What are the key properties of 4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine?
4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 217.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 122598686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).