2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide

C12H17BrClN3O2 — CID 114583352

IUPAC2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)n1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C12H17BrClN3O2/c1-7(2)4-5-15-11(18)8(3)17-6-16-10(14)9(13)12(17)19/h6-8H,4-5H2,1-3H3,(H,15,18)
InChIKeyVVCSXCVZMDNIBX-UHFFFAOYSA-N
MW350.64 g/mol
LogP2.38
Rot. Bonds5

About 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide

2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide (PubChem CID 114583352) has the molecular formula C12H17BrClN3O2 and a molecular weight of 350.64 g/mol. Its IUPAC name is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
PubChem CID114583352
Molecular FormulaC12H17BrClN3O2
Molecular Weight350.64 g/mol
Exact Mass349.02
IUPAC Name2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)n1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C12H17BrClN3O2/c1-7(2)4-5-15-11(18)8(3)17-6-16-10(14)9(13)12(17)19/h6-8H,4-5H2,1-3H3,(H,15,18)
InChIKeyVVCSXCVZMDNIBX-UHFFFAOYSA-N
XLogP2.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.64
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide (CID 114583352) is 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)n1cnc(Cl)c(Br)c1=O.
What is the InChIKey of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide?
The InChIKey is VVCSXCVZMDNIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClN3O2/c1-7(2)4-5-15-11(18)8(3)17-6-16-10(14)9(13)12(17)19/h6-8H,4-5H2,1-3H3,(H,15,18).
What are the key properties of 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide?
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide has a molecular weight of 350.64 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 114583352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).