N-[5-fluoro-1-[(4-methylphenyl)methyl]-2-oxopyrimidin-4-yl]-N'-methylmethanimidamide

C14H15FN4O — CID 123446889

IUPACN-[5-fluoro-1-[(4-methylphenyl)methyl]-2-oxopyrimidin-4-yl]-N'-methylmethanimidamide
SMILESC/N=C/Nc1nc(=O)n(Cc2ccc(C)cc2)cc1F
InChIInChI=1S/C14H15FN4O/c1-10-3-5-11(6-4-10)7-19-8-12(15)13(17-9-16-2)18-14(19)20/h3-6,8-9H,7H2,1-2H3,(H,16,17,18,20)
InChIKeyQOMRQDIINHINLB-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.81
Rot. Bonds4

About N-[5-fluoro-1-[(4-methylphenyl)methyl]-2-oxopyrimidin-4-yl]-N'-methylmethanimidamide

N-[5-fluoro-1-[(4-methylphenyl)methyl]-2-oxopyrimidin-4-yl]-N'-methylmethanimidamide (PubChem CID 123446889) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[5-fluoro-1-[(4-methylphenyl)methyl]-2-oxopyrimidin-4-yl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[5-fluoro-1-[(4-methylphenyl)methyl]-2-oxopyrimidin-4-yl]-N'-methylmethanimidamide
PubChem CID123446889
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC NameN-[5-fluoro-1-[(4-methylphenyl)methyl]-2-oxopyrimidin-4-yl]-N'-methylmethanimidamide
SMILESC/N=C/Nc1nc(=O)n(Cc2ccc(C)cc2)cc1F
InChIInChI=1S/C14H15FN4O/c1-10-3-5-11(6-4-10)7-19-8-12(15)13(17-9-16-2)18-14(19)20/h3-6,8-9H,7H2,1-2H3,(H,16,17,18,20)
InChIKeyQOMRQDIINHINLB-UHFFFAOYSA-N
XLogP1.81
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
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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Related Compounds

4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one
CID 118577456
4-Ethylimino-6-(4-fluorophenyl)-1,3,5-triazinan-2-one
CID 136728217
1-Benzyl-5-methyl-4-(octylamino)-1,2-dihydropyrimidin-2-one
CID 154040010
1-Benzyl-5-methyl-4-(3-methylbutylamino)pyrimidin-2-one
CID 155557231
4-Amino-1-benzylpyrimidin-2(1H)-one
CID 308581
5-Methyl-4-(octylamino)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-one
CID 147330615
1-Benzyl-4-(decylamino)-5-methylpyrimidin-2-one
CID 148339851
1-Benzyl-4-(butan-2-ylamino)-5-methylpyrimidin-2-one
CID 155515630
1-Benzyl-4-[3-(dimethylamino)propylamino]-5-methylpyrimidin-2-one
CID 155536855
1-Benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one
CID 155538095
1-Benzyl-4-(benzylamino)-5-methylpyrimidin-2-one
CID 155560175
4-(4-Fluorophenyl)-6-propylimino-1,3,5-triazinan-2-one
CID 137129944

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-1-[(4-methylphenyl)methyl]-2-oxopyrimidin-4-yl]-N'-methylmethanimidamide?
The IUPAC name of N-[5-fluoro-1-[(4-methylphenyl)methyl]-2-oxopyrimidin-4-yl]-N'-methylmethanimidamide (CID 123446889) is N-[5-fluoro-1-[(4-methylphenyl)methyl]-2-oxopyrimidin-4-yl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[5-fluoro-1-[(4-methylphenyl)methyl]-2-oxopyrimidin-4-yl]-N'-methylmethanimidamide?
The canonical SMILES for N-[5-fluoro-1-[(4-methylphenyl)methyl]-2-oxopyrimidin-4-yl]-N'-methylmethanimidamide is C/N=C/Nc1nc(=O)n(Cc2ccc(C)cc2)cc1F.
What is the InChIKey of N-[5-fluoro-1-[(4-methylphenyl)methyl]-2-oxopyrimidin-4-yl]-N'-methylmethanimidamide?
The InChIKey is QOMRQDIINHINLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-10-3-5-11(6-4-10)7-19-8-12(15)13(17-9-16-2)18-14(19)20/h3-6,8-9H,7H2,1-2H3,(H,16,17,18,20).
What are the key properties of N-[5-fluoro-1-[(4-methylphenyl)methyl]-2-oxopyrimidin-4-yl]-N'-methylmethanimidamide?
N-[5-fluoro-1-[(4-methylphenyl)methyl]-2-oxopyrimidin-4-yl]-N'-methylmethanimidamide has a molecular weight of 274.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-1-[(4-methylphenyl)methyl]-2-oxopyrimidin-4-yl]-N'-methylmethanimidamide is sourced from PubChem (CID 123446889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).