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

C6H11N3O — CID 55287090

IUPACN-(1,4,5,6-tetrahydropyrimidin-2-yl)acetamide
SMILESCC(=O)NC1=NCCCN1
InChIInChI=1S/C6H11N3O/c1-5(10)9-6-7-3-2-4-8-6/h2-4H2,1H3,(H2,7,8,9,10)
InChIKeyWJTKODNAGPQUPZ-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.53
Rot. Bonds

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

N-(1,4,5,6-tetrahydropyrimidin-2-yl)acetamide (PubChem CID 55287090) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N-(1,4,5,6-tetrahydropyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,4,5,6-tetrahydropyrimidin-2-yl)acetamide
PubChem CID55287090
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN-(1,4,5,6-tetrahydropyrimidin-2-yl)acetamide
SMILESCC(=O)NC1=NCCCN1
InChIInChI=1S/C6H11N3O/c1-5(10)9-6-7-3-2-4-8-6/h2-4H2,1H3,(H2,7,8,9,10)
InChIKeyWJTKODNAGPQUPZ-UHFFFAOYSA-N
XLogP-0.53
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6-tetrahydropyrimidin-2-yl)acetamide?
The IUPAC name of N-(1,4,5,6-tetrahydropyrimidin-2-yl)acetamide (CID 55287090) is N-(1,4,5,6-tetrahydropyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(1,4,5,6-tetrahydropyrimidin-2-yl)acetamide?
The canonical SMILES for N-(1,4,5,6-tetrahydropyrimidin-2-yl)acetamide is CC(=O)NC1=NCCCN1.
What is the InChIKey of N-(1,4,5,6-tetrahydropyrimidin-2-yl)acetamide?
The InChIKey is WJTKODNAGPQUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5(10)9-6-7-3-2-4-8-6/h2-4H2,1H3,(H2,7,8,9,10).
What are the key properties of N-(1,4,5,6-tetrahydropyrimidin-2-yl)acetamide?
N-(1,4,5,6-tetrahydropyrimidin-2-yl)acetamide has a molecular weight of 141.17 g/mol, XLogP of -0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6-tetrahydropyrimidin-2-yl)acetamide is sourced from PubChem (CID 55287090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).