N'-(1-methyl-2-oxopyrimidin-4-yl)ethanimidamide

C7H10N4O — CID 91429126

IUPACN'-(1-methyl-2-oxopyrimidin-4-yl)ethanimidamide
SMILESC/C(N)=N\c1ccn(C)c(=O)n1
InChIInChI=1S/C7H10N4O/c1-5(8)9-6-3-4-11(2)7(12)10-6/h3-4H,1-2H3,(H2,8,9,10,12)
InChIKeyNOFLRSCMDUQNHC-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.21
Rot. Bonds1

About N'-(1-methyl-2-oxopyrimidin-4-yl)ethanimidamide

N'-(1-methyl-2-oxopyrimidin-4-yl)ethanimidamide (PubChem CID 91429126) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is N'-(1-methyl-2-oxopyrimidin-4-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(1-methyl-2-oxopyrimidin-4-yl)ethanimidamide
PubChem CID91429126
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC NameN'-(1-methyl-2-oxopyrimidin-4-yl)ethanimidamide
SMILESC/C(N)=N\c1ccn(C)c(=O)n1
InChIInChI=1S/C7H10N4O/c1-5(8)9-6-3-4-11(2)7(12)10-6/h3-4H,1-2H3,(H2,8,9,10,12)
InChIKeyNOFLRSCMDUQNHC-UHFFFAOYSA-N
XLogP-0.21
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-Methylcytosine
CID 79143
2(1H)-Pyrimidinone, 4-(dimethylamino)-1-methyl-
CID 137509
1-(Ethoxymethyl)cytosine
CID 15954377
2(1H)-Pyrimidinone, 4-amino-1,N-dimethyl-
CID 138689
6-Amino-1-methyl-2-oxo-2,3-dihydropyrimidin-1-ium
CID 4469987
1-Propylcytosine
CID 309336
4-Amino-1-propan-2-ylpyrimidin-2-one
CID 22965173
4-Amino-1-Fluoro-2(1H)-Pyrimidinone
CID 17916755
1-Methylcytosine hydrochloride
CID 69917829
4-(Hydroxyamino)-1-methylpyrimidin-2(1H)-one
CID 54501776
Pyrimidine, 2-amino-1,4-dihydro-4-imino-1-methyl-
CID 101145593
Pyrimidine, 1,2-dihydro-2-imino-1-methyl-4-methylamino-
CID 55287407

Frequently Asked Questions

What is the IUPAC name of N'-(1-methyl-2-oxopyrimidin-4-yl)ethanimidamide?
The IUPAC name of N'-(1-methyl-2-oxopyrimidin-4-yl)ethanimidamide (CID 91429126) is N'-(1-methyl-2-oxopyrimidin-4-yl)ethanimidamide.
What is the SMILES notation for N'-(1-methyl-2-oxopyrimidin-4-yl)ethanimidamide?
The canonical SMILES for N'-(1-methyl-2-oxopyrimidin-4-yl)ethanimidamide is C/C(N)=N\c1ccn(C)c(=O)n1.
What is the InChIKey of N'-(1-methyl-2-oxopyrimidin-4-yl)ethanimidamide?
The InChIKey is NOFLRSCMDUQNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-5(8)9-6-3-4-11(2)7(12)10-6/h3-4H,1-2H3,(H2,8,9,10,12).
What are the key properties of N'-(1-methyl-2-oxopyrimidin-4-yl)ethanimidamide?
N'-(1-methyl-2-oxopyrimidin-4-yl)ethanimidamide has a molecular weight of 166.18 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methyl-2-oxopyrimidin-4-yl)ethanimidamide is sourced from PubChem (CID 91429126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).