3-(2,4-dioxopyrimidin-1-yl)-N-(6-methoxypyrimidin-4-yl)propanamide

C12H13N5O4 — CID 71795741

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-(6-methoxypyrimidin-4-yl)propanamide
SMILESCOc1cc(NC(=O)CCn2ccc(=O)[nH]c2=O)ncn1
InChIInChI=1S/C12H13N5O4/c1-21-11-6-8(13-7-14-11)15-9(18)2-4-17-5-3-10(19)16-12(17)20/h3,5-7H,2,4H2,1H3,(H,16,19,20)(H,13,14,15,18)
InChIKeyCQLBUFYXXZRAID-UHFFFAOYSA-N
MW291.27 g/mol
LogP-0.64
Rot. Bonds5

About 3-(2,4-dioxopyrimidin-1-yl)-N-(6-methoxypyrimidin-4-yl)propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-(6-methoxypyrimidin-4-yl)propanamide (PubChem CID 71795741) has the molecular formula C12H13N5O4 and a molecular weight of 291.27 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-(6-methoxypyrimidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-(6-methoxypyrimidin-4-yl)propanamide
PubChem CID71795741
Molecular FormulaC12H13N5O4
Molecular Weight291.27 g/mol
Exact Mass291.10
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-(6-methoxypyrimidin-4-yl)propanamide
SMILESCOc1cc(NC(=O)CCn2ccc(=O)[nH]c2=O)ncn1
InChIInChI=1S/C12H13N5O4/c1-21-11-6-8(13-7-14-11)15-9(18)2-4-17-5-3-10(19)16-12(17)20/h3,5-7H,2,4H2,1H3,(H,16,19,20)(H,13,14,15,18)
InChIKeyCQLBUFYXXZRAID-UHFFFAOYSA-N
XLogP-0.64
TPSA118.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-(6-methoxypyrimidin-4-yl)propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-(6-methoxypyrimidin-4-yl)propanamide (CID 71795741) is 3-(2,4-dioxopyrimidin-1-yl)-N-(6-methoxypyrimidin-4-yl)propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-(6-methoxypyrimidin-4-yl)propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-(6-methoxypyrimidin-4-yl)propanamide is COc1cc(NC(=O)CCn2ccc(=O)[nH]c2=O)ncn1.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-(6-methoxypyrimidin-4-yl)propanamide?
The InChIKey is CQLBUFYXXZRAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O4/c1-21-11-6-8(13-7-14-11)15-9(18)2-4-17-5-3-10(19)16-12(17)20/h3,5-7H,2,4H2,1H3,(H,16,19,20)(H,13,14,15,18).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-(6-methoxypyrimidin-4-yl)propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-(6-methoxypyrimidin-4-yl)propanamide has a molecular weight of 291.27 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-(6-methoxypyrimidin-4-yl)propanamide is sourced from PubChem (CID 71795741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).