3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide

C11H16BrN3O2 — CID 66308134

IUPAC3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
SMILESCc1ncn(CCC(=O)NC(C)C)c(=O)c1Br
InChIInChI=1S/C11H16BrN3O2/c1-7(2)14-9(16)4-5-15-6-13-8(3)10(12)11(15)17/h6-7H,4-5H2,1-3H3,(H,14,16)
InChIKeyLEAGOIRGGSEDCX-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.23
Rot. Bonds4

About 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide

3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide (PubChem CID 66308134) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
PubChem CID66308134
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
SMILESCc1ncn(CCC(=O)NC(C)C)c(=O)c1Br
InChIInChI=1S/C11H16BrN3O2/c1-7(2)14-9(16)4-5-15-6-13-8(3)10(12)11(15)17/h6-7H,4-5H2,1-3H3,(H,14,16)
InChIKeyLEAGOIRGGSEDCX-UHFFFAOYSA-N
XLogP1.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide (CID 66308134) is 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide is Cc1ncn(CCC(=O)NC(C)C)c(=O)c1Br.
What is the InChIKey of 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is LEAGOIRGGSEDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-7(2)14-9(16)4-5-15-6-13-8(3)10(12)11(15)17/h6-7H,4-5H2,1-3H3,(H,14,16).
What are the key properties of 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 302.17 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 66308134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).