3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)propanamide

C12H15N5O3 — CID 31851906

IUPAC3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H15N5O3/c1-7-8(11(19)15-12(20)13-7)3-4-10(18)14-9-5-6-17(2)16-9/h5-6H,3-4H2,1-2H3,(H,14,16,18)(H2,13,15,19,20)
InChIKeyKTMIWQOWVBDVOL-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.32
Rot. Bonds4

About 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)propanamide

3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)propanamide (PubChem CID 31851906) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)propanamide
PubChem CID31851906
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H15N5O3/c1-7-8(11(19)15-12(20)13-7)3-4-10(18)14-9-5-6-17(2)16-9/h5-6H,3-4H2,1-2H3,(H,14,16,18)(H2,13,15,19,20)
InChIKeyKTMIWQOWVBDVOL-UHFFFAOYSA-N
XLogP-0.32
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)propanamide?
The IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)propanamide (CID 31851906) is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)propanamide is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)Nc1ccn(C)n1.
What is the InChIKey of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)propanamide?
The InChIKey is KTMIWQOWVBDVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-7-8(11(19)15-12(20)13-7)3-4-10(18)14-9-5-6-17(2)16-9/h5-6H,3-4H2,1-2H3,(H,14,16,18)(H2,13,15,19,20).
What are the key properties of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)propanamide?
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)propanamide has a molecular weight of 277.28 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 31851906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).