1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea

C14H16N4O2 — CID 110492341

IUPAC1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea
SMILESCC(C)Oc1ccccc1NC(=O)Nc1cnccn1
InChIInChI=1S/C14H16N4O2/c1-10(2)20-12-6-4-3-5-11(12)17-14(19)18-13-9-15-7-8-16-13/h3-10H,1-2H3,(H2,16,17,18,19)
InChIKeyGRDYGELKYQQVAM-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.91
Rot. Bonds4

About 1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea

1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea (PubChem CID 110492341) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea
PubChem CID110492341
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea
SMILESCC(C)Oc1ccccc1NC(=O)Nc1cnccn1
InChIInChI=1S/C14H16N4O2/c1-10(2)20-12-6-4-3-5-11(12)17-14(19)18-13-9-15-7-8-16-13/h3-10H,1-2H3,(H2,16,17,18,19)
InChIKeyGRDYGELKYQQVAM-UHFFFAOYSA-N
XLogP2.91
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea
CID 58842168
1-[2-(3-aminopropoxy)phenyl]-3-pyrazin-2-ylurea
CID 10016910
1-(2-chlorophenyl)-3-pyrazin-2-ylurea
CID 5078272
1-amino-3-(2-propan-2-yloxyphenyl)urea
CID 82283845
1-[2-[[4-(dimethylamino)cyclohexyl]methoxy]phenyl]-3-pyrazin-2-ylurea
CID 58842154
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
4-chloro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81227462
1-(5-methyl-1-phenylpyrazol-3-yl)-3-(2-propan-2-yloxyphenyl)urea
CID 154794214
1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea
CID 970790
N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034520
5-chloro-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 103817156
1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea
CID 6466621

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea (CID 110492341) is 1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea is CC(C)Oc1ccccc1NC(=O)Nc1cnccn1.
What is the InChIKey of 1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea?
The InChIKey is GRDYGELKYQQVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10(2)20-12-6-4-3-5-11(12)17-14(19)18-13-9-15-7-8-16-13/h3-10H,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea?
1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea has a molecular weight of 272.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 110492341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).