N-(4,6-dimethoxypyrimidin-2-yl)propanamide

C9H13N3O3 — CID 942474

IUPACN-(4,6-dimethoxypyrimidin-2-yl)propanamide
SMILESCCC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C9H13N3O3/c1-4-6(13)10-9-11-7(14-2)5-8(12-9)15-3/h5H,4H2,1-3H3,(H,10,11,12,13)
InChIKeyJFBWPNPKYAZQHA-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.84
Rot. Bonds4

About N-(4,6-dimethoxypyrimidin-2-yl)propanamide

N-(4,6-dimethoxypyrimidin-2-yl)propanamide (PubChem CID 942474) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(4,6-dimethoxypyrimidin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4,6-dimethoxypyrimidin-2-yl)propanamide
PubChem CID942474
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(4,6-dimethoxypyrimidin-2-yl)propanamide
SMILESCCC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C9H13N3O3/c1-4-6(13)10-9-11-7(14-2)5-8(12-9)15-3/h5H,4H2,1-3H3,(H,10,11,12,13)
InChIKeyJFBWPNPKYAZQHA-UHFFFAOYSA-N
XLogP0.84
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)propanamide?
The IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)propanamide (CID 942474) is N-(4,6-dimethoxypyrimidin-2-yl)propanamide.
What is the SMILES notation for N-(4,6-dimethoxypyrimidin-2-yl)propanamide?
The canonical SMILES for N-(4,6-dimethoxypyrimidin-2-yl)propanamide is CCC(=O)Nc1nc(OC)cc(OC)n1.
What is the InChIKey of N-(4,6-dimethoxypyrimidin-2-yl)propanamide?
The InChIKey is JFBWPNPKYAZQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-4-6(13)10-9-11-7(14-2)5-8(12-9)15-3/h5H,4H2,1-3H3,(H,10,11,12,13).
What are the key properties of N-(4,6-dimethoxypyrimidin-2-yl)propanamide?
N-(4,6-dimethoxypyrimidin-2-yl)propanamide has a molecular weight of 211.22 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxypyrimidin-2-yl)propanamide is sourced from PubChem (CID 942474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).