1,3-dimethyl-1-(4-methylpyrazin-1-yl)-3-phenylurea

C14H18N4O — CID 70521806

IUPAC1,3-dimethyl-1-(4-methylpyrazin-1-yl)-3-phenylurea
SMILESCN1C=CN(N(C)C(=O)N(C)c2ccccc2)C=C1
InChIInChI=1S/C14H18N4O/c1-15-9-11-18(12-10-15)17(3)14(19)16(2)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyRSBBLRJBLRGDEX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.28
Rot. Bonds2

About 1,3-dimethyl-1-(4-methylpyrazin-1-yl)-3-phenylurea

1,3-dimethyl-1-(4-methylpyrazin-1-yl)-3-phenylurea (PubChem CID 70521806) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1,3-dimethyl-1-(4-methylpyrazin-1-yl)-3-phenylurea.

Molecular Properties

Compound Name1,3-dimethyl-1-(4-methylpyrazin-1-yl)-3-phenylurea
PubChem CID70521806
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1,3-dimethyl-1-(4-methylpyrazin-1-yl)-3-phenylurea
SMILESCN1C=CN(N(C)C(=O)N(C)c2ccccc2)C=C1
InChIInChI=1S/C14H18N4O/c1-15-9-11-18(12-10-15)17(3)14(19)16(2)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyRSBBLRJBLRGDEX-UHFFFAOYSA-N
XLogP2.28
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 102316457
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1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea
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1,3-dimethyl-1-[2-methyl-5-[methyl-[methyl(phenyl)carbamoyl]amino]phenyl]-3-phenylurea
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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(4-methylpyrazin-1-yl)-3-phenylurea?
The IUPAC name of 1,3-dimethyl-1-(4-methylpyrazin-1-yl)-3-phenylurea (CID 70521806) is 1,3-dimethyl-1-(4-methylpyrazin-1-yl)-3-phenylurea.
What is the SMILES notation for 1,3-dimethyl-1-(4-methylpyrazin-1-yl)-3-phenylurea?
The canonical SMILES for 1,3-dimethyl-1-(4-methylpyrazin-1-yl)-3-phenylurea is CN1C=CN(N(C)C(=O)N(C)c2ccccc2)C=C1.
What is the InChIKey of 1,3-dimethyl-1-(4-methylpyrazin-1-yl)-3-phenylurea?
The InChIKey is RSBBLRJBLRGDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-15-9-11-18(12-10-15)17(3)14(19)16(2)13-7-5-4-6-8-13/h4-12H,1-3H3.
What are the key properties of 1,3-dimethyl-1-(4-methylpyrazin-1-yl)-3-phenylurea?
1,3-dimethyl-1-(4-methylpyrazin-1-yl)-3-phenylurea has a molecular weight of 258.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-(4-methylpyrazin-1-yl)-3-phenylurea is sourced from PubChem (CID 70521806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).