N'-[1-[(4-fluorophenyl)methyl]-4-methyl-6-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide

C15H17FN4O — CID 4318557

IUPACN'-[1-[(4-fluorophenyl)methyl]-4-methyl-6-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide
SMILESCc1cc(=O)n(Cc2ccc(F)cc2)c(N=CN(C)C)n1
InChIInChI=1S/C15H17FN4O/c1-11-8-14(21)20(15(18-11)17-10-19(2)3)9-12-4-6-13(16)7-5-12/h4-8,10H,9H2,1-3H3
InChIKeyNXSWNEHCSQVHHW-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.96
Rot. Bonds4

About N'-[1-[(4-fluorophenyl)methyl]-4-methyl-6-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide

N'-[1-[(4-fluorophenyl)methyl]-4-methyl-6-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 4318557) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N'-[1-[(4-fluorophenyl)methyl]-4-methyl-6-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[1-[(4-fluorophenyl)methyl]-4-methyl-6-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide
PubChem CID4318557
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC NameN'-[1-[(4-fluorophenyl)methyl]-4-methyl-6-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide
SMILESCc1cc(=O)n(Cc2ccc(F)cc2)c(N=CN(C)C)n1
InChIInChI=1S/C15H17FN4O/c1-11-8-14(21)20(15(18-11)17-10-19(2)3)9-12-4-6-13(16)7-5-12/h4-8,10H,9H2,1-3H3
InChIKeyNXSWNEHCSQVHHW-UHFFFAOYSA-N
XLogP1.96
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(4-fluorophenyl)methyl]-4-methyl-6-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[1-[(4-fluorophenyl)methyl]-4-methyl-6-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide (CID 4318557) is N'-[1-[(4-fluorophenyl)methyl]-4-methyl-6-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[1-[(4-fluorophenyl)methyl]-4-methyl-6-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[1-[(4-fluorophenyl)methyl]-4-methyl-6-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide is Cc1cc(=O)n(Cc2ccc(F)cc2)c(N=CN(C)C)n1.
What is the InChIKey of N'-[1-[(4-fluorophenyl)methyl]-4-methyl-6-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is NXSWNEHCSQVHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-11-8-14(21)20(15(18-11)17-10-19(2)3)9-12-4-6-13(16)7-5-12/h4-8,10H,9H2,1-3H3.
What are the key properties of N'-[1-[(4-fluorophenyl)methyl]-4-methyl-6-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide?
N'-[1-[(4-fluorophenyl)methyl]-4-methyl-6-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 288.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(4-fluorophenyl)methyl]-4-methyl-6-oxopyrimidin-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 4318557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).