3-methyl-2-(phenacylamino)-6-pyridin-4-ylpyrimidin-4-one

C18H16N4O2 — CID 10308589

IUPAC3-methyl-2-(phenacylamino)-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCC(=O)c2ccccc2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C18H16N4O2/c1-22-17(24)11-15(13-7-9-19-10-8-13)21-18(22)20-12-16(23)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21)
InChIKeyKFEKXXFPCURVGO-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.14
Rot. Bonds5

About 3-methyl-2-(phenacylamino)-6-pyridin-4-ylpyrimidin-4-one

3-methyl-2-(phenacylamino)-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 10308589) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-methyl-2-(phenacylamino)-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-(phenacylamino)-6-pyridin-4-ylpyrimidin-4-one
PubChem CID10308589
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-methyl-2-(phenacylamino)-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCC(=O)c2ccccc2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C18H16N4O2/c1-22-17(24)11-15(13-7-9-19-10-8-13)21-18(22)20-12-16(23)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21)
InChIKeyKFEKXXFPCURVGO-UHFFFAOYSA-N
XLogP2.14
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(phenacylamino)-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 3-methyl-2-(phenacylamino)-6-pyridin-4-ylpyrimidin-4-one (CID 10308589) is 3-methyl-2-(phenacylamino)-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-(phenacylamino)-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-methyl-2-(phenacylamino)-6-pyridin-4-ylpyrimidin-4-one is Cn1c(NCC(=O)c2ccccc2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 3-methyl-2-(phenacylamino)-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is KFEKXXFPCURVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-22-17(24)11-15(13-7-9-19-10-8-13)21-18(22)20-12-16(23)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21).
What are the key properties of 3-methyl-2-(phenacylamino)-6-pyridin-4-ylpyrimidin-4-one?
3-methyl-2-(phenacylamino)-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 320.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(phenacylamino)-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 10308589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).