6-(furan-2-ylmethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one

C16H16N4O3 — CID 17198698

IUPAC6-(furan-2-ylmethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one
SMILESO=c1c2cnc(N3CCOCC3)nc2ccn1Cc1ccco1
InChIInChI=1S/C16H16N4O3/c21-15-13-10-17-16(19-5-8-22-9-6-19)18-14(13)3-4-20(15)11-12-2-1-7-23-12/h1-4,7,10H,5-6,8-9,11H2
InChIKeyWJFAGWUFZWTFGU-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.27
Rot. Bonds3

About 6-(furan-2-ylmethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one

6-(furan-2-ylmethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 17198698) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 6-(furan-2-ylmethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-(furan-2-ylmethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one
PubChem CID17198698
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name6-(furan-2-ylmethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one
SMILESO=c1c2cnc(N3CCOCC3)nc2ccn1Cc1ccco1
InChIInChI=1S/C16H16N4O3/c21-15-13-10-17-16(19-5-8-22-9-6-19)18-14(13)3-4-20(15)11-12-2-1-7-23-12/h1-4,7,10H,5-6,8-9,11H2
InChIKeyWJFAGWUFZWTFGU-UHFFFAOYSA-N
XLogP1.27
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-(furan-2-ylmethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one (CID 17198698) is 6-(furan-2-ylmethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-(furan-2-ylmethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-(furan-2-ylmethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one is O=c1c2cnc(N3CCOCC3)nc2ccn1Cc1ccco1.
What is the InChIKey of 6-(furan-2-ylmethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is WJFAGWUFZWTFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c21-15-13-10-17-16(19-5-8-22-9-6-19)18-14(13)3-4-20(15)11-12-2-1-7-23-12/h1-4,7,10H,5-6,8-9,11H2.
What are the key properties of 6-(furan-2-ylmethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one?
6-(furan-2-ylmethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 312.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethyl)-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 17198698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).