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

C11H17N3O3 — CID 47136033

IUPAC3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylpropanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC(C)C
InChIInChI=1S/C11H17N3O3/c1-6(2)12-9(15)5-4-8-7(3)13-11(17)14-10(8)16/h6H,4-5H2,1-3H3,(H,12,15)(H2,13,14,16,17)
InChIKeyYEURXNQQXQRVHS-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.17
Rot. Bonds4

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

3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylpropanamide (PubChem CID 47136033) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylpropanamide
PubChem CID47136033
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylpropanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC(C)C
InChIInChI=1S/C11H17N3O3/c1-6(2)12-9(15)5-4-8-7(3)13-11(17)14-10(8)16/h6H,4-5H2,1-3H3,(H,12,15)(H2,13,14,16,17)
InChIKeyYEURXNQQXQRVHS-UHFFFAOYSA-N
XLogP-0.17
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylpropanamide (CID 47136033) is 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylpropanamide is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC(C)C.
What is the InChIKey of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylpropanamide?
The InChIKey is YEURXNQQXQRVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-6(2)12-9(15)5-4-8-7(3)13-11(17)14-10(8)16/h6H,4-5H2,1-3H3,(H,12,15)(H2,13,14,16,17).
What are the key properties of 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylpropanamide?
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylpropanamide has a molecular weight of 239.27 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 47136033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).