1-(4-benzyl-6-chloro-5-methyl-3-oxopyrazin-2-yl)-3-methylurea

C14H15ClN4O2 — CID 122212444

IUPAC1-(4-benzyl-6-chloro-5-methyl-3-oxopyrazin-2-yl)-3-methylurea
SMILESCNC(=O)Nc1nc(Cl)c(C)n(Cc2ccccc2)c1=O
InChIInChI=1S/C14H15ClN4O2/c1-9-11(15)17-12(18-14(21)16-2)13(20)19(9)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,16,17,18,21)
InChIKeyVONSENJYKLIAFF-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.00
Rot. Bonds3

About 1-(4-benzyl-6-chloro-5-methyl-3-oxopyrazin-2-yl)-3-methylurea

1-(4-benzyl-6-chloro-5-methyl-3-oxopyrazin-2-yl)-3-methylurea (PubChem CID 122212444) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-(4-benzyl-6-chloro-5-methyl-3-oxopyrazin-2-yl)-3-methylurea.

Molecular Properties

Compound Name1-(4-benzyl-6-chloro-5-methyl-3-oxopyrazin-2-yl)-3-methylurea
PubChem CID122212444
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name1-(4-benzyl-6-chloro-5-methyl-3-oxopyrazin-2-yl)-3-methylurea
SMILESCNC(=O)Nc1nc(Cl)c(C)n(Cc2ccccc2)c1=O
InChIInChI=1S/C14H15ClN4O2/c1-9-11(15)17-12(18-14(21)16-2)13(20)19(9)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,16,17,18,21)
InChIKeyVONSENJYKLIAFF-UHFFFAOYSA-N
XLogP2.00
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one
CID 142172858
2-[2-benzyl-5-(tert-butylcarbamoylamino)-3-chloro-6-oxopyrazin-1-yl]acetic acid
CID 127045959
benzyl 2-[3-chloro-2-methyl-6-oxo-5-(1-phenylethylamino)pyrazin-1-yl]acetate
CID 57241169
benzyl 2-[3-chloro-5-[[1-(dimethylamino)-2-phenylpropyl]amino]-2-methyl-6-oxopyrazin-1-yl]acetate
CID 18470849
3-benzyl-6-chloro-2,5-dimethylpyrimidin-4-one
CID 143373161
benzyl 2-(3,5-dichloro-2-methyl-6-oxopyrazin-1-yl)acetate
CID 10663926
benzyl 2-[3-chloro-5-(2-cyclopropylethylamino)-2-methyl-6-oxopyrazin-1-yl]acetate
CID 54269425
1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone
CID 139467477
tert-butyl N-(7-amino-4-benzyl-3-oxoquinoxalin-2-yl)carbamate
CID 170748768
1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one
CID 174769465
benzyl 2-[3-chloro-5-[(1-cyclopentylpyrrolidin-1-ium-1-yl)methylamino]-2-methyl-6-oxopyrazin-1-yl]acetate
CID 18470942
5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]-6-methylpyrazin-2-one
CID 53242336

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-6-chloro-5-methyl-3-oxopyrazin-2-yl)-3-methylurea?
The IUPAC name of 1-(4-benzyl-6-chloro-5-methyl-3-oxopyrazin-2-yl)-3-methylurea (CID 122212444) is 1-(4-benzyl-6-chloro-5-methyl-3-oxopyrazin-2-yl)-3-methylurea.
What is the SMILES notation for 1-(4-benzyl-6-chloro-5-methyl-3-oxopyrazin-2-yl)-3-methylurea?
The canonical SMILES for 1-(4-benzyl-6-chloro-5-methyl-3-oxopyrazin-2-yl)-3-methylurea is CNC(=O)Nc1nc(Cl)c(C)n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-(4-benzyl-6-chloro-5-methyl-3-oxopyrazin-2-yl)-3-methylurea?
The InChIKey is VONSENJYKLIAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-9-11(15)17-12(18-14(21)16-2)13(20)19(9)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,16,17,18,21).
What are the key properties of 1-(4-benzyl-6-chloro-5-methyl-3-oxopyrazin-2-yl)-3-methylurea?
1-(4-benzyl-6-chloro-5-methyl-3-oxopyrazin-2-yl)-3-methylurea has a molecular weight of 306.75 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-6-chloro-5-methyl-3-oxopyrazin-2-yl)-3-methylurea is sourced from PubChem (CID 122212444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).