4-pentyl-8H-pyrido[2,3-d]pyrimidin-7-one

C12H15N3O — CID 58710516

IUPAC4-pentyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCCCCc1ncnc2[nH]c(=O)ccc12
InChIInChI=1S/C12H15N3O/c1-2-3-4-5-10-9-6-7-11(16)15-12(9)14-8-13-10/h6-8H,2-5H2,1H3,(H,13,14,15,16)
InChIKeyAQJUOQGGPCDZFW-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.05
Rot. Bonds4

About 4-pentyl-8H-pyrido[2,3-d]pyrimidin-7-one

4-pentyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 58710516) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-pentyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-pentyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID58710516
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-pentyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCCCCCc1ncnc2[nH]c(=O)ccc12
InChIInChI=1S/C12H15N3O/c1-2-3-4-5-10-9-6-7-11(16)15-12(9)14-8-13-10/h6-8H,2-5H2,1H3,(H,13,14,15,16)
InChIKeyAQJUOQGGPCDZFW-UHFFFAOYSA-N
XLogP2.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-pentyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-pentyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 58710516) is 4-pentyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-pentyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-pentyl-8H-pyrido[2,3-d]pyrimidin-7-one is CCCCCc1ncnc2[nH]c(=O)ccc12.
What is the InChIKey of 4-pentyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is AQJUOQGGPCDZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-3-4-5-10-9-6-7-11(16)15-12(9)14-8-13-10/h6-8H,2-5H2,1H3,(H,13,14,15,16).
What are the key properties of 4-pentyl-8H-pyrido[2,3-d]pyrimidin-7-one?
4-pentyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 217.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 58710516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).