1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea

C15H18N4O2 — CID 62841564

IUPAC1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
SMILESCc1cnc(CNC(=O)Nc2cccc(C(C)O)c2)cn1
InChIInChI=1S/C15H18N4O2/c1-10-7-17-14(8-16-10)9-18-15(21)19-13-5-3-4-12(6-13)11(2)20/h3-8,11,20H,9H2,1-2H3,(H2,18,19,21)
InChIKeyVTYSUDTVQHLDRJ-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.16
Rot. Bonds4

About 1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea

1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea (PubChem CID 62841564) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
PubChem CID62841564
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
SMILESCc1cnc(CNC(=O)Nc2cccc(C(C)O)c2)cn1
InChIInChI=1S/C15H18N4O2/c1-10-7-17-14(8-16-10)9-18-15(21)19-13-5-3-4-12(6-13)11(2)20/h3-8,11,20H,9H2,1-2H3,(H2,18,19,21)
InChIKeyVTYSUDTVQHLDRJ-UHFFFAOYSA-N
XLogP2.16
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 61346080
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 61346078
1-[4-(aminomethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 62848325
1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 63295753
1-[3-(1-hydroxyethyl)phenyl]-3-(thiophen-3-ylmethyl)urea
CID 55173709
1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
CID 61346275
N-[3-(1-hydroxyethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 172657449
2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 106591385
1-[3-(1-hydroxyethyl)phenyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 63824187
1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea
CID 104765102
1-(3-methyl-1,2-oxazol-5-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 167862543
1-[3-(1-hydroxyethyl)phenyl]-3-(2-phenylethyl)urea
CID 61347620

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea?
The IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea (CID 62841564) is 1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea?
The canonical SMILES for 1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea is Cc1cnc(CNC(=O)Nc2cccc(C(C)O)c2)cn1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea?
The InChIKey is VTYSUDTVQHLDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-7-17-14(8-16-10)9-18-15(21)19-13-5-3-4-12(6-13)11(2)20/h3-8,11,20H,9H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea?
1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea has a molecular weight of 286.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea is sourced from PubChem (CID 62841564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).