2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide

C14H19N5O3 — CID 91768769

IUPAC2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)Cc1c[nH]c(=O)n(C)c1=O)c1ccnn1C
InChIInChI=1S/C14H19N5O3/c1-4-10(11-5-6-16-19(11)3)17-12(20)7-9-8-15-14(22)18(2)13(9)21/h5-6,8,10H,4,7H2,1-3H3,(H,15,22)(H,17,20)
InChIKeyAUMKJQJPJQNVRR-UHFFFAOYSA-N
MW305.34 g/mol
LogP-0.38
Rot. Bonds5

About 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide

2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide (PubChem CID 91768769) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
PubChem CID91768769
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)Cc1c[nH]c(=O)n(C)c1=O)c1ccnn1C
InChIInChI=1S/C14H19N5O3/c1-4-10(11-5-6-16-19(11)3)17-12(20)7-9-8-15-14(22)18(2)13(9)21/h5-6,8,10H,4,7H2,1-3H3,(H,15,22)(H,17,20)
InChIKeyAUMKJQJPJQNVRR-UHFFFAOYSA-N
XLogP-0.38
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
The IUPAC name of 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide (CID 91768769) is 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide.
What is the SMILES notation for 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
The canonical SMILES for 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide is CCC(NC(=O)Cc1c[nH]c(=O)n(C)c1=O)c1ccnn1C.
What is the InChIKey of 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
The InChIKey is AUMKJQJPJQNVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-4-10(11-5-6-16-19(11)3)17-12(20)7-9-8-15-14(22)18(2)13(9)21/h5-6,8,10H,4,7H2,1-3H3,(H,15,22)(H,17,20).
What are the key properties of 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide?
2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide has a molecular weight of 305.34 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylpyrazol-3-yl)propyl]acetamide is sourced from PubChem (CID 91768769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).