acetamide;1,2-dihydropyrimidine

C6H11N3O — CID 160505698

IUPACacetamide;1,2-dihydropyrimidine
SMILESC1=CNCN=C1.CC(N)=O
InChIInChI=1S/C4H6N2.C2H5NO/c1-2-5-4-6-3-1;1-2(3)4/h1-3,5H,4H2;1H3,(H2,3,4)
InChIKeyQSJHJRZQRKIPOJ-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.38
Rot. Bonds

About acetamide;1,2-dihydropyrimidine

acetamide;1,2-dihydropyrimidine (PubChem CID 160505698) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is acetamide;1,2-dihydropyrimidine.

Molecular Properties

Compound Nameacetamide;1,2-dihydropyrimidine
PubChem CID160505698
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Nameacetamide;1,2-dihydropyrimidine
SMILESC1=CNCN=C1.CC(N)=O
InChIInChI=1S/C4H6N2.C2H5NO/c1-2-5-4-6-3-1;1-2(3)4/h1-3,5H,4H2;1H3,(H2,3,4)
InChIKeyQSJHJRZQRKIPOJ-UHFFFAOYSA-N
XLogP-0.38
TPSA67.48 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 ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetamide;1,2-dihydropyrimidine?
The IUPAC name of acetamide;1,2-dihydropyrimidine (CID 160505698) is acetamide;1,2-dihydropyrimidine.
What is the SMILES notation for acetamide;1,2-dihydropyrimidine?
The canonical SMILES for acetamide;1,2-dihydropyrimidine is C1=CNCN=C1.CC(N)=O.
What is the InChIKey of acetamide;1,2-dihydropyrimidine?
The InChIKey is QSJHJRZQRKIPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C2H5NO/c1-2-5-4-6-3-1;1-2(3)4/h1-3,5H,4H2;1H3,(H2,3,4).
What are the key properties of acetamide;1,2-dihydropyrimidine?
acetamide;1,2-dihydropyrimidine has a molecular weight of 141.17 g/mol, XLogP of -0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;1,2-dihydropyrimidine is sourced from PubChem (CID 160505698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).