8-[(furan-2-ylmethylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one

C13H12N4O2 — CID 137175085

IUPAC8-[(furan-2-ylmethylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(CNCc3ccco3)nccc12
InChIInChI=1S/C13H12N4O2/c18-13-10-3-4-15-11(12(10)16-8-17-13)7-14-6-9-2-1-5-19-9/h1-5,8,14H,6-7H2,(H,16,17,18)
InChIKeyKYFZKWSQWIPREE-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.20
Rot. Bonds4

About 8-[(furan-2-ylmethylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one

8-[(furan-2-ylmethylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 137175085) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 8-[(furan-2-ylmethylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-[(furan-2-ylmethylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID137175085
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name8-[(furan-2-ylmethylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(CNCc3ccco3)nccc12
InChIInChI=1S/C13H12N4O2/c18-13-10-3-4-15-11(12(10)16-8-17-13)7-14-6-9-2-1-5-19-9/h1-5,8,14H,6-7H2,(H,16,17,18)
InChIKeyKYFZKWSQWIPREE-UHFFFAOYSA-N
XLogP1.20
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(furan-2-ylmethylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 8-[(furan-2-ylmethylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 137175085) is 8-[(furan-2-ylmethylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-[(furan-2-ylmethylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 8-[(furan-2-ylmethylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]cnc2c(CNCc3ccco3)nccc12.
What is the InChIKey of 8-[(furan-2-ylmethylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is KYFZKWSQWIPREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c18-13-10-3-4-15-11(12(10)16-8-17-13)7-14-6-9-2-1-5-19-9/h1-5,8,14H,6-7H2,(H,16,17,18).
What are the key properties of 8-[(furan-2-ylmethylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one?
8-[(furan-2-ylmethylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 256.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(furan-2-ylmethylamino)methyl]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137175085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).