N-[2-(2-methyl-2,6-dihydro-1H-pyrimidin-3-yl)ethyl]propanamide

C10H19N3O — CID 22749212

IUPACN-[2-(2-methyl-2,6-dihydro-1H-pyrimidin-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCN1C=CCNC1C
InChIInChI=1S/C10H19N3O/c1-3-10(14)12-6-8-13-7-4-5-11-9(13)2/h4,7,9,11H,3,5-6,8H2,1-2H3,(H,12,14)
InChIKeyLSUUWUSCXIMMCL-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.28
Rot. Bonds4

About N-[2-(2-methyl-2,6-dihydro-1H-pyrimidin-3-yl)ethyl]propanamide

N-[2-(2-methyl-2,6-dihydro-1H-pyrimidin-3-yl)ethyl]propanamide (PubChem CID 22749212) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[2-(2-methyl-2,6-dihydro-1H-pyrimidin-3-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-methyl-2,6-dihydro-1H-pyrimidin-3-yl)ethyl]propanamide
PubChem CID22749212
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[2-(2-methyl-2,6-dihydro-1H-pyrimidin-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCN1C=CCNC1C
InChIInChI=1S/C10H19N3O/c1-3-10(14)12-6-8-13-7-4-5-11-9(13)2/h4,7,9,11H,3,5-6,8H2,1-2H3,(H,12,14)
InChIKeyLSUUWUSCXIMMCL-UHFFFAOYSA-N
XLogP0.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-2,6-dihydro-1H-pyrimidin-3-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2-methyl-2,6-dihydro-1H-pyrimidin-3-yl)ethyl]propanamide (CID 22749212) is N-[2-(2-methyl-2,6-dihydro-1H-pyrimidin-3-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-methyl-2,6-dihydro-1H-pyrimidin-3-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-methyl-2,6-dihydro-1H-pyrimidin-3-yl)ethyl]propanamide is CCC(=O)NCCN1C=CCNC1C.
What is the InChIKey of N-[2-(2-methyl-2,6-dihydro-1H-pyrimidin-3-yl)ethyl]propanamide?
The InChIKey is LSUUWUSCXIMMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-10(14)12-6-8-13-7-4-5-11-9(13)2/h4,7,9,11H,3,5-6,8H2,1-2H3,(H,12,14).
What are the key properties of N-[2-(2-methyl-2,6-dihydro-1H-pyrimidin-3-yl)ethyl]propanamide?
N-[2-(2-methyl-2,6-dihydro-1H-pyrimidin-3-yl)ethyl]propanamide has a molecular weight of 197.28 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-2,6-dihydro-1H-pyrimidin-3-yl)ethyl]propanamide is sourced from PubChem (CID 22749212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).