N,N-dimethyl-N'-(5-methyl-6-oxo-1H-pyrimidin-2-yl)methanimidamide

C8H12N4O — CID 15451604

IUPACN,N-dimethyl-N'-(5-methyl-6-oxo-1H-pyrimidin-2-yl)methanimidamide
SMILESCc1cnc(/N=C/N(C)C)[nH]c1=O
InChIInChI=1S/C8H12N4O/c1-6-4-9-8(11-7(6)13)10-5-12(2)3/h4-5H,1-3H3,(H,9,11,13)/b10-5+
InChIKeyVQFPWFLMEYFBIK-BJMVGYQFSA-N
MW180.21 g/mol
LogP0.30
Rot. Bonds2

About N,N-dimethyl-N'-(5-methyl-6-oxo-1H-pyrimidin-2-yl)methanimidamide

N,N-dimethyl-N'-(5-methyl-6-oxo-1H-pyrimidin-2-yl)methanimidamide (PubChem CID 15451604) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N,N-dimethyl-N'-(5-methyl-6-oxo-1H-pyrimidin-2-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(5-methyl-6-oxo-1H-pyrimidin-2-yl)methanimidamide
PubChem CID15451604
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN,N-dimethyl-N'-(5-methyl-6-oxo-1H-pyrimidin-2-yl)methanimidamide
SMILESCc1cnc(/N=C/N(C)C)[nH]c1=O
InChIInChI=1S/C8H12N4O/c1-6-4-9-8(11-7(6)13)10-5-12(2)3/h4-5H,1-3H3,(H,9,11,13)/b10-5+
InChIKeyVQFPWFLMEYFBIK-BJMVGYQFSA-N
XLogP0.30
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(5-methyl-6-oxo-1H-pyrimidin-2-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(5-methyl-6-oxo-1H-pyrimidin-2-yl)methanimidamide (CID 15451604) is N,N-dimethyl-N'-(5-methyl-6-oxo-1H-pyrimidin-2-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(5-methyl-6-oxo-1H-pyrimidin-2-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(5-methyl-6-oxo-1H-pyrimidin-2-yl)methanimidamide is Cc1cnc(/N=C/N(C)C)[nH]c1=O.
What is the InChIKey of N,N-dimethyl-N'-(5-methyl-6-oxo-1H-pyrimidin-2-yl)methanimidamide?
The InChIKey is VQFPWFLMEYFBIK-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H12N4O/c1-6-4-9-8(11-7(6)13)10-5-12(2)3/h4-5H,1-3H3,(H,9,11,13)/b10-5+.
What are the key properties of N,N-dimethyl-N'-(5-methyl-6-oxo-1H-pyrimidin-2-yl)methanimidamide?
N,N-dimethyl-N'-(5-methyl-6-oxo-1H-pyrimidin-2-yl)methanimidamide has a molecular weight of 180.21 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(5-methyl-6-oxo-1H-pyrimidin-2-yl)methanimidamide is sourced from PubChem (CID 15451604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).