4-methyl-8-(oxolan-2-ylmethyl)-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C18H20N4O2 — CID 53193780

IUPAC4-methyl-8-(oxolan-2-ylmethyl)-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(-c2ccncc2)nc2c1CCC(=O)N2CC1CCCO1
InChIInChI=1S/C18H20N4O2/c1-12-15-4-5-16(23)22(11-14-3-2-10-24-14)18(15)21-17(20-12)13-6-8-19-9-7-13/h6-9,14H,2-5,10-11H2,1H3
InChIKeyNPYDXGZXGWYNMS-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.31
Rot. Bonds3

About 4-methyl-8-(oxolan-2-ylmethyl)-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

4-methyl-8-(oxolan-2-ylmethyl)-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 53193780) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-methyl-8-(oxolan-2-ylmethyl)-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-8-(oxolan-2-ylmethyl)-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID53193780
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-methyl-8-(oxolan-2-ylmethyl)-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(-c2ccncc2)nc2c1CCC(=O)N2CC1CCCO1
InChIInChI=1S/C18H20N4O2/c1-12-15-4-5-16(23)22(11-14-3-2-10-24-14)18(15)21-17(20-12)13-6-8-19-9-7-13/h6-9,14H,2-5,10-11H2,1H3
InChIKeyNPYDXGZXGWYNMS-UHFFFAOYSA-N
XLogP2.31
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(oxolan-2-ylmethyl)-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methyl-8-(oxolan-2-ylmethyl)-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 53193780) is 4-methyl-8-(oxolan-2-ylmethyl)-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-8-(oxolan-2-ylmethyl)-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-8-(oxolan-2-ylmethyl)-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(-c2ccncc2)nc2c1CCC(=O)N2CC1CCCO1.
What is the InChIKey of 4-methyl-8-(oxolan-2-ylmethyl)-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NPYDXGZXGWYNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-15-4-5-16(23)22(11-14-3-2-10-24-14)18(15)21-17(20-12)13-6-8-19-9-7-13/h6-9,14H,2-5,10-11H2,1H3.
What are the key properties of 4-methyl-8-(oxolan-2-ylmethyl)-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
4-methyl-8-(oxolan-2-ylmethyl)-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 324.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(oxolan-2-ylmethyl)-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 53193780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).