N-imino-6-methyl-1,2-dihydropyrimidine-4-carboxamide

C6H8N4O — CID 118486710

IUPACN-imino-6-methyl-1,2-dihydropyrimidine-4-carboxamide
SMILES[H]/N=N/C(=O)C1=NCNC(C)=C1
InChIInChI=1S/C6H8N4O/c1-4-2-5(6(11)10-7)9-3-8-4/h2,7-8H,3H2,1H3/b10-7+
InChIKeyBXZVEUAEEDSOJJ-JXMROGBWSA-N
MW152.16 g/mol
LogP0.45
Rot. Bonds1

About N-imino-6-methyl-1,2-dihydropyrimidine-4-carboxamide

N-imino-6-methyl-1,2-dihydropyrimidine-4-carboxamide (PubChem CID 118486710) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is N-imino-6-methyl-1,2-dihydropyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-imino-6-methyl-1,2-dihydropyrimidine-4-carboxamide
PubChem CID118486710
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC NameN-imino-6-methyl-1,2-dihydropyrimidine-4-carboxamide
SMILES[H]/N=N/C(=O)C1=NCNC(C)=C1
InChIInChI=1S/C6H8N4O/c1-4-2-5(6(11)10-7)9-3-8-4/h2,7-8H,3H2,1H3/b10-7+
InChIKeyBXZVEUAEEDSOJJ-JXMROGBWSA-N
XLogP0.45
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-imino-6-methyl-1,2-dihydropyrimidine-4-carboxamide?
The IUPAC name of N-imino-6-methyl-1,2-dihydropyrimidine-4-carboxamide (CID 118486710) is N-imino-6-methyl-1,2-dihydropyrimidine-4-carboxamide.
What is the SMILES notation for N-imino-6-methyl-1,2-dihydropyrimidine-4-carboxamide?
The canonical SMILES for N-imino-6-methyl-1,2-dihydropyrimidine-4-carboxamide is [H]/N=N/C(=O)C1=NCNC(C)=C1.
What is the InChIKey of N-imino-6-methyl-1,2-dihydropyrimidine-4-carboxamide?
The InChIKey is BXZVEUAEEDSOJJ-JXMROGBWSA-N. The full InChI is InChI=1S/C6H8N4O/c1-4-2-5(6(11)10-7)9-3-8-4/h2,7-8H,3H2,1H3/b10-7+.
What are the key properties of N-imino-6-methyl-1,2-dihydropyrimidine-4-carboxamide?
N-imino-6-methyl-1,2-dihydropyrimidine-4-carboxamide has a molecular weight of 152.16 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-imino-6-methyl-1,2-dihydropyrimidine-4-carboxamide is sourced from PubChem (CID 118486710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).