2-methyl-3-(morpholin-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one

C13H16N4O2 — CID 3063597

IUPAC2-methyl-3-(morpholin-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCc1nc2ncccc2c(=O)n1CN1CCOCC1
InChIInChI=1S/C13H16N4O2/c1-10-15-12-11(3-2-4-14-12)13(18)17(10)9-16-5-7-19-8-6-16/h2-4H,5-9H2,1H3
InChIKeyQYLYUZLWIAOOTA-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.39
Rot. Bonds2

About 2-methyl-3-(morpholin-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one

2-methyl-3-(morpholin-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one (PubChem CID 3063597) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-methyl-3-(morpholin-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3-(morpholin-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one
PubChem CID3063597
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-methyl-3-(morpholin-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCc1nc2ncccc2c(=O)n1CN1CCOCC1
InChIInChI=1S/C13H16N4O2/c1-10-15-12-11(3-2-4-14-12)13(18)17(10)9-16-5-7-19-8-6-16/h2-4H,5-9H2,1H3
InChIKeyQYLYUZLWIAOOTA-UHFFFAOYSA-N
XLogP0.39
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(morpholin-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-3-(morpholin-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one (CID 3063597) is 2-methyl-3-(morpholin-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3-(morpholin-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3-(morpholin-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one is Cc1nc2ncccc2c(=O)n1CN1CCOCC1.
What is the InChIKey of 2-methyl-3-(morpholin-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is QYLYUZLWIAOOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-10-15-12-11(3-2-4-14-12)13(18)17(10)9-16-5-7-19-8-6-16/h2-4H,5-9H2,1H3.
What are the key properties of 2-methyl-3-(morpholin-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one?
2-methyl-3-(morpholin-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 260.30 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(morpholin-4-ylmethyl)pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 3063597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).