1-(1-methylpyrrolo[3,2-c]pyridin-4-yl)pyrimidine-2,4-dione

C12H10N4O2 — CID 170164664

IUPAC1-(1-methylpyrrolo[3,2-c]pyridin-4-yl)pyrimidine-2,4-dione
SMILESCn1ccc2c(-n3ccc(=O)[nH]c3=O)nccc21
InChIInChI=1S/C12H10N4O2/c1-15-6-3-8-9(15)2-5-13-11(8)16-7-4-10(17)14-12(16)18/h2-7H,1H3,(H,14,17,18)
InChIKeyVCEZSGBVBLIZJA-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.41
Rot. Bonds1

About 1-(1-methylpyrrolo[3,2-c]pyridin-4-yl)pyrimidine-2,4-dione

1-(1-methylpyrrolo[3,2-c]pyridin-4-yl)pyrimidine-2,4-dione (PubChem CID 170164664) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-(1-methylpyrrolo[3,2-c]pyridin-4-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1-methylpyrrolo[3,2-c]pyridin-4-yl)pyrimidine-2,4-dione
PubChem CID170164664
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name1-(1-methylpyrrolo[3,2-c]pyridin-4-yl)pyrimidine-2,4-dione
SMILESCn1ccc2c(-n3ccc(=O)[nH]c3=O)nccc21
InChIInChI=1S/C12H10N4O2/c1-15-6-3-8-9(15)2-5-13-11(8)16-7-4-10(17)14-12(16)18/h2-7H,1H3,(H,14,17,18)
InChIKeyVCEZSGBVBLIZJA-UHFFFAOYSA-N
XLogP0.41
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolo[3,2-c]pyridin-4-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-(1-methylpyrrolo[3,2-c]pyridin-4-yl)pyrimidine-2,4-dione (CID 170164664) is 1-(1-methylpyrrolo[3,2-c]pyridin-4-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(1-methylpyrrolo[3,2-c]pyridin-4-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(1-methylpyrrolo[3,2-c]pyridin-4-yl)pyrimidine-2,4-dione is Cn1ccc2c(-n3ccc(=O)[nH]c3=O)nccc21.
What is the InChIKey of 1-(1-methylpyrrolo[3,2-c]pyridin-4-yl)pyrimidine-2,4-dione?
The InChIKey is VCEZSGBVBLIZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-15-6-3-8-9(15)2-5-13-11(8)16-7-4-10(17)14-12(16)18/h2-7H,1H3,(H,14,17,18).
What are the key properties of 1-(1-methylpyrrolo[3,2-c]pyridin-4-yl)pyrimidine-2,4-dione?
1-(1-methylpyrrolo[3,2-c]pyridin-4-yl)pyrimidine-2,4-dione has a molecular weight of 242.24 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolo[3,2-c]pyridin-4-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 170164664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).