N'-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide;N'-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide

C16H22F2N8O2 — CID 159774838

IUPACN'-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide;N'-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide
SMILESCCn1cc(F)c(/N=C/N(C)C)nc1=O.CN(C)C=Nc1[nH]c(=O)ncc1F
InChIInChI=1S/C9H13FN4O.C7H9FN4O/c1-4-14-5-7(10)8(12-9(14)15)11-6-13(2)3;1-12(2)4-10-6-5(8)3-9-7(13)11-6/h5-6H,4H2,1-3H3;3-4H,1-2H3,(H,9,11,13)/b11-6+;
InChIKeyNGPGMTIQIOQAGB-ICSBZGNSSA-N
MW396.40 g/mol
LogP0.75
Rot. Bonds5

About N'-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide;N'-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide

N'-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide;N'-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide (PubChem CID 159774838) has the molecular formula C16H22F2N8O2 and a molecular weight of 396.40 g/mol. Its IUPAC name is N'-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide;N'-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide;N'-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide
PubChem CID159774838
Molecular FormulaC16H22F2N8O2
Molecular Weight396.40 g/mol
Exact Mass396.18
IUPAC NameN'-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide;N'-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide
SMILESCCn1cc(F)c(/N=C/N(C)C)nc1=O.CN(C)C=Nc1[nH]c(=O)ncc1F
InChIInChI=1S/C9H13FN4O.C7H9FN4O/c1-4-14-5-7(10)8(12-9(14)15)11-6-13(2)3;1-12(2)4-10-6-5(8)3-9-7(13)11-6/h5-6H,4H2,1-3H3;3-4H,1-2H3,(H,9,11,13)/b11-6+;
InChIKeyNGPGMTIQIOQAGB-ICSBZGNSSA-N
XLogP0.75
TPSA111.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide;N'-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide;N'-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide (CID 159774838) is N'-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide;N'-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide;N'-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide;N'-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide is CCn1cc(F)c(/N=C/N(C)C)nc1=O.CN(C)C=Nc1[nH]c(=O)ncc1F.
What is the InChIKey of N'-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide;N'-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide?
The InChIKey is NGPGMTIQIOQAGB-ICSBZGNSSA-N. The full InChI is InChI=1S/C9H13FN4O.C7H9FN4O/c1-4-14-5-7(10)8(12-9(14)15)11-6-13(2)3;1-12(2)4-10-6-5(8)3-9-7(13)11-6/h5-6H,4H2,1-3H3;3-4H,1-2H3,(H,9,11,13)/b11-6+;.
What are the key properties of N'-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide;N'-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide?
N'-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide;N'-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide has a molecular weight of 396.40 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethyl-5-fluoro-2-oxopyrimidin-4-yl)-N,N-dimethylmethanimidamide;N'-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 159774838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).