N'-methyl-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methanimidamide

C7H10N4O2 — CID 148940825

IUPACN'-methyl-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methanimidamide
SMILESC/N=C/Nc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O2/c1-4-5(9-3-8-2)6(12)11-7(13)10-4/h3H,1-2H3,(H,8,9)(H2,10,11,12,13)
InChIKeyPNWICWCLUNAWJV-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.56
Rot. Bonds2

About N'-methyl-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methanimidamide

N'-methyl-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methanimidamide (PubChem CID 148940825) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is N'-methyl-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methanimidamide
PubChem CID148940825
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC NameN'-methyl-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methanimidamide
SMILESC/N=C/Nc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O2/c1-4-5(9-3-8-2)6(12)11-7(13)10-4/h3H,1-2H3,(H,8,9)(H2,10,11,12,13)
InChIKeyPNWICWCLUNAWJV-UHFFFAOYSA-N
XLogP-0.56
TPSA90.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
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'-methyl-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methanimidamide?
The IUPAC name of N'-methyl-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methanimidamide (CID 148940825) is N'-methyl-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methanimidamide.
What is the SMILES notation for N'-methyl-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methanimidamide?
The canonical SMILES for N'-methyl-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methanimidamide is C/N=C/Nc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of N'-methyl-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methanimidamide?
The InChIKey is PNWICWCLUNAWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-4-5(9-3-8-2)6(12)11-7(13)10-4/h3H,1-2H3,(H,8,9)(H2,10,11,12,13).
What are the key properties of N'-methyl-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methanimidamide?
N'-methyl-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methanimidamide has a molecular weight of 182.18 g/mol, XLogP of -0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methanimidamide is sourced from PubChem (CID 148940825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).