N-(2,4-dimethoxypyrimidin-5-yl)propanamide

C9H13N3O3 — CID 71807563

IUPACN-(2,4-dimethoxypyrimidin-5-yl)propanamide
SMILESCCC(=O)Nc1cnc(OC)nc1OC
InChIInChI=1S/C9H13N3O3/c1-4-7(13)11-6-5-10-9(15-3)12-8(6)14-2/h5H,4H2,1-3H3,(H,11,13)
InChIKeyWKBBVCRYMUWKGJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.84
Rot. Bonds4

About N-(2,4-dimethoxypyrimidin-5-yl)propanamide

N-(2,4-dimethoxypyrimidin-5-yl)propanamide (PubChem CID 71807563) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(2,4-dimethoxypyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxypyrimidin-5-yl)propanamide
PubChem CID71807563
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-(2,4-dimethoxypyrimidin-5-yl)propanamide
SMILESCCC(=O)Nc1cnc(OC)nc1OC
InChIInChI=1S/C9H13N3O3/c1-4-7(13)11-6-5-10-9(15-3)12-8(6)14-2/h5H,4H2,1-3H3,(H,11,13)
InChIKeyWKBBVCRYMUWKGJ-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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Related Compounds

4-Methoxypyrimidin-5-amine
CID 13277465
2-Chloro-4-methoxypyrimidin-5-amine
CID 21186356
N-[2-methoxy-4-(trifluoromethoxy)pyrimidin-5-yl]acetamide
CID 132007009
4-(2-Methoxyethoxy)pyrimidin-5-amine
CID 79918226
4-Methoxy-5-acetamidopyrimidine
CID 126971276
5-Azido-2,4-dimethoxypyrimidine
CID 132991782
N-(2,4-dimethoxypyrimidin-5-yl)isobutyramide
CID 71807565
N-(2,4-Diethoxypyrimidin-5-YL)propanamide
CID 71807604
(2S)-N-ethyl-2-[(4-methoxypyrimidin-2-yl)amino]propanamide
CID 94447749
N-[4-(trifluoromethoxy)pyrimidin-5-yl]acetamide
CID 132027210
4-Methoxy-5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid
CID 170306212
2-(2-Fluoroethoxy)-4-methoxypyrimidin-5-amine
CID 170733725

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)propanamide?
The IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)propanamide (CID 71807563) is N-(2,4-dimethoxypyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(2,4-dimethoxypyrimidin-5-yl)propanamide?
The canonical SMILES for N-(2,4-dimethoxypyrimidin-5-yl)propanamide is CCC(=O)Nc1cnc(OC)nc1OC.
What is the InChIKey of N-(2,4-dimethoxypyrimidin-5-yl)propanamide?
The InChIKey is WKBBVCRYMUWKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-4-7(13)11-6-5-10-9(15-3)12-8(6)14-2/h5H,4H2,1-3H3,(H,11,13).
What are the key properties of N-(2,4-dimethoxypyrimidin-5-yl)propanamide?
N-(2,4-dimethoxypyrimidin-5-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-(2,4-dimethoxypyrimidin-5-yl)propanamide is sourced from PubChem (CID 71807563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).