3-(4-methylphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C14H11N3O2 — CID 848491

IUPAC3-(4-methylphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(=O)[nH]c3ncccc3c2=O)cc1
InChIInChI=1S/C14H11N3O2/c1-9-4-6-10(7-5-9)17-13(18)11-3-2-8-15-12(11)16-14(17)19/h2-8H,1H3,(H,15,16,19)
InChIKeyPOHCDKYVHCVRCM-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.38
Rot. Bonds1

About 3-(4-methylphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione

3-(4-methylphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 848491) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-methylphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID848491
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name3-(4-methylphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(=O)[nH]c3ncccc3c2=O)cc1
InChIInChI=1S/C14H11N3O2/c1-9-4-6-10(7-5-9)17-13(18)11-3-2-8-15-12(11)16-14(17)19/h2-8H,1H3,(H,15,16,19)
InChIKeyPOHCDKYVHCVRCM-UHFFFAOYSA-N
XLogP1.38
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(4-methylphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 848491) is 3-(4-methylphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-methylphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-methylphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is Cc1ccc(-n2c(=O)[nH]c3ncccc3c2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is POHCDKYVHCVRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-4-6-10(7-5-9)17-13(18)11-3-2-8-15-12(11)16-14(17)19/h2-8H,1H3,(H,15,16,19).
What are the key properties of 3-(4-methylphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
3-(4-methylphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 253.26 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 848491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).