1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea

C15H18N4O3 — CID 97261191

IUPAC1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea
SMILESCn1ccnc(NC(=O)N[C@@H](CO)Cc2ccccc2)c1=O
InChIInChI=1S/C15H18N4O3/c1-19-8-7-16-13(14(19)21)18-15(22)17-12(10-20)9-11-5-3-2-4-6-11/h2-8,12,20H,9-10H2,1H3,(H2,16,17,18,22)/t12-/m1/s1
InChIKeyLWGVKFFBVZTBBO-GFCCVEGCSA-N
MW302.33 g/mol
LogP0.51
Rot. Bonds5

About 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea

1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea (PubChem CID 97261191) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea.

Molecular Properties

Compound Name1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea
PubChem CID97261191
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea
SMILESCn1ccnc(NC(=O)N[C@@H](CO)Cc2ccccc2)c1=O
InChIInChI=1S/C15H18N4O3/c1-19-8-7-16-13(14(19)21)18-15(22)17-12(10-20)9-11-5-3-2-4-6-11/h2-8,12,20H,9-10H2,1H3,(H2,16,17,18,22)/t12-/m1/s1
InChIKeyLWGVKFFBVZTBBO-GFCCVEGCSA-N
XLogP0.51
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea?
The IUPAC name of 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea (CID 97261191) is 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea.
What is the SMILES notation for 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea?
The canonical SMILES for 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea is Cn1ccnc(NC(=O)N[C@@H](CO)Cc2ccccc2)c1=O.
What is the InChIKey of 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea?
The InChIKey is LWGVKFFBVZTBBO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-19-8-7-16-13(14(19)21)18-15(22)17-12(10-20)9-11-5-3-2-4-6-11/h2-8,12,20H,9-10H2,1H3,(H2,16,17,18,22)/t12-/m1/s1.
What are the key properties of 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea?
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea has a molecular weight of 302.33 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea is sourced from PubChem (CID 97261191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).