N-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)acetamide

C7H13N3O — CID 5153042

IUPACN-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)acetamide
SMILESCC(=O)NC1=NCCCN1C
InChIInChI=1S/C7H13N3O/c1-6(11)9-7-8-4-3-5-10(7)2/h3-5H2,1-2H3,(H,8,9,11)
InChIKeyZCXZOKDVNQWKLF-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.19
Rot. Bonds

About N-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)acetamide

N-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)acetamide (PubChem CID 5153042) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)acetamide
PubChem CID5153042
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)acetamide
SMILESCC(=O)NC1=NCCCN1C
InChIInChI=1S/C7H13N3O/c1-6(11)9-7-8-4-3-5-10(7)2/h3-5H2,1-2H3,(H,8,9,11)
InChIKeyZCXZOKDVNQWKLF-UHFFFAOYSA-N
XLogP-0.19
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)acetamide?
The IUPAC name of N-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)acetamide (CID 5153042) is N-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)acetamide is CC(=O)NC1=NCCCN1C.
What is the InChIKey of N-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)acetamide?
The InChIKey is ZCXZOKDVNQWKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-6(11)9-7-8-4-3-5-10(7)2/h3-5H2,1-2H3,(H,8,9,11).
What are the key properties of N-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)acetamide?
N-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)acetamide has a molecular weight of 155.20 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)acetamide is sourced from PubChem (CID 5153042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).