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

C13H20ClN3O3 — CID 114585142

IUPAC2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
SMILESCOc1c(Cl)ncn(C(C)C(=O)NCCC(C)C)c1=O
InChIInChI=1S/C13H20ClN3O3/c1-8(2)5-6-15-12(18)9(3)17-7-16-11(14)10(20-4)13(17)19/h7-9H,5-6H2,1-4H3,(H,15,18)
InChIKeyDTUGFHHUZPUCRN-UHFFFAOYSA-N
MW301.77 g/mol
LogP1.63
Rot. Bonds6

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

2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide (PubChem CID 114585142) has the molecular formula C13H20ClN3O3 and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
PubChem CID114585142
Molecular FormulaC13H20ClN3O3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC Name2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
SMILESCOc1c(Cl)ncn(C(C)C(=O)NCCC(C)C)c1=O
InChIInChI=1S/C13H20ClN3O3/c1-8(2)5-6-15-12(18)9(3)17-7-16-11(14)10(20-4)13(17)19/h7-9H,5-6H2,1-4H3,(H,15,18)
InChIKeyDTUGFHHUZPUCRN-UHFFFAOYSA-N
XLogP1.63
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide (CID 114585142) is 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide is COc1c(Cl)ncn(C(C)C(=O)NCCC(C)C)c1=O.
What is the InChIKey of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide?
The InChIKey is DTUGFHHUZPUCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3/c1-8(2)5-6-15-12(18)9(3)17-7-16-11(14)10(20-4)13(17)19/h7-9H,5-6H2,1-4H3,(H,15,18).
What are the key properties of 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide?
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide has a molecular weight of 301.77 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 114585142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).