N'-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]-N,N-dimethylmethanimidamide

C11H16N6O2 — CID 135404255

IUPACN'-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nc(/N=C/N(C)C)c(C=O)c(=O)[nH]1
InChIInChI=1S/C11H16N6O2/c1-16(2)6-12-9-8(5-18)10(19)15-11(14-9)13-7-17(3)4/h5-7H,1-4H3,(H,14,15,19)/b12-6+,13-7+
InChIKeyCPPGALXGARVZSI-PWHKKFIBSA-N
MW264.29 g/mol
LogP0.03
Rot. Bonds5

About N'-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]-N,N-dimethylmethanimidamide

N'-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]-N,N-dimethylmethanimidamide (PubChem CID 135404255) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is N'-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]-N,N-dimethylmethanimidamide
PubChem CID135404255
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC NameN'-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nc(/N=C/N(C)C)c(C=O)c(=O)[nH]1
InChIInChI=1S/C11H16N6O2/c1-16(2)6-12-9-8(5-18)10(19)15-11(14-9)13-7-17(3)4/h5-7H,1-4H3,(H,14,15,19)/b12-6+,13-7+
InChIKeyCPPGALXGARVZSI-PWHKKFIBSA-N
XLogP0.03
TPSA94.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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'-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]-N,N-dimethylmethanimidamide (CID 135404255) is N'-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1nc(/N=C/N(C)C)c(C=O)c(=O)[nH]1.
What is the InChIKey of N'-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The InChIKey is CPPGALXGARVZSI-PWHKKFIBSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-16(2)6-12-9-8(5-18)10(19)15-11(14-9)13-7-17(3)4/h5-7H,1-4H3,(H,14,15,19)/b12-6+,13-7+.
What are the key properties of N'-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]-N,N-dimethylmethanimidamide?
N'-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]-N,N-dimethylmethanimidamide has a molecular weight of 264.29 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 135404255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).