N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)propanamide

C13H17N3O — CID 20546111

IUPACN-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)propanamide
SMILESCCC(=O)NC1=NCCC(c2ccccc2)N1
InChIInChI=1S/C13H17N3O/c1-2-12(17)16-13-14-9-8-11(15-13)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H2,14,15,16,17)
InChIKeyUEGXBCDGOALAEC-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.60
Rot. Bonds2

About N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)propanamide

N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)propanamide (PubChem CID 20546111) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)propanamide.

Molecular Properties

Compound NameN-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)propanamide
PubChem CID20546111
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)propanamide
SMILESCCC(=O)NC1=NCCC(c2ccccc2)N1
InChIInChI=1S/C13H17N3O/c1-2-12(17)16-13-14-9-8-11(15-13)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H2,14,15,16,17)
InChIKeyUEGXBCDGOALAEC-UHFFFAOYSA-N
XLogP1.60
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)propanamide?
The IUPAC name of N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)propanamide (CID 20546111) is N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)propanamide.
What is the SMILES notation for N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)propanamide?
The canonical SMILES for N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)propanamide is CCC(=O)NC1=NCCC(c2ccccc2)N1.
What is the InChIKey of N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)propanamide?
The InChIKey is UEGXBCDGOALAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-12(17)16-13-14-9-8-11(15-13)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)propanamide?
N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)propanamide has a molecular weight of 231.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)propanamide is sourced from PubChem (CID 20546111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).