1-(2-methylphenyl)-2,4-dioxo-3-propylpyrimidine-5-carbonitrile

C15H15N3O2 — CID 2823216

IUPAC1-(2-methylphenyl)-2,4-dioxo-3-propylpyrimidine-5-carbonitrile
SMILESCCCn1c(=O)c(C#N)cn(-c2ccccc2C)c1=O
InChIInChI=1S/C15H15N3O2/c1-3-8-17-14(19)12(9-16)10-18(15(17)20)13-7-5-4-6-11(13)2/h4-7,10H,3,8H2,1-2H3
InChIKeyATXUDSBMVIVZTH-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.59
Rot. Bonds3

About 1-(2-methylphenyl)-2,4-dioxo-3-propylpyrimidine-5-carbonitrile

1-(2-methylphenyl)-2,4-dioxo-3-propylpyrimidine-5-carbonitrile (PubChem CID 2823216) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2,4-dioxo-3-propylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-(2-methylphenyl)-2,4-dioxo-3-propylpyrimidine-5-carbonitrile
PubChem CID2823216
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-(2-methylphenyl)-2,4-dioxo-3-propylpyrimidine-5-carbonitrile
SMILESCCCn1c(=O)c(C#N)cn(-c2ccccc2C)c1=O
InChIInChI=1S/C15H15N3O2/c1-3-8-17-14(19)12(9-16)10-18(15(17)20)13-7-5-4-6-11(13)2/h4-7,10H,3,8H2,1-2H3
InChIKeyATXUDSBMVIVZTH-UHFFFAOYSA-N
XLogP1.59
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2,4-dioxo-3-propylpyrimidine-5-carbonitrile?
The IUPAC name of 1-(2-methylphenyl)-2,4-dioxo-3-propylpyrimidine-5-carbonitrile (CID 2823216) is 1-(2-methylphenyl)-2,4-dioxo-3-propylpyrimidine-5-carbonitrile.
What is the SMILES notation for 1-(2-methylphenyl)-2,4-dioxo-3-propylpyrimidine-5-carbonitrile?
The canonical SMILES for 1-(2-methylphenyl)-2,4-dioxo-3-propylpyrimidine-5-carbonitrile is CCCn1c(=O)c(C#N)cn(-c2ccccc2C)c1=O.
What is the InChIKey of 1-(2-methylphenyl)-2,4-dioxo-3-propylpyrimidine-5-carbonitrile?
The InChIKey is ATXUDSBMVIVZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-3-8-17-14(19)12(9-16)10-18(15(17)20)13-7-5-4-6-11(13)2/h4-7,10H,3,8H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-2,4-dioxo-3-propylpyrimidine-5-carbonitrile?
1-(2-methylphenyl)-2,4-dioxo-3-propylpyrimidine-5-carbonitrile has a molecular weight of 269.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2,4-dioxo-3-propylpyrimidine-5-carbonitrile is sourced from PubChem (CID 2823216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).