1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea

C16H12F2N4O2 — CID 121199004

IUPAC1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea
SMILESO=C(NCc1nccnc1-c1ccco1)Nc1c(F)cccc1F
InChIInChI=1S/C16H12F2N4O2/c17-10-3-1-4-11(18)14(10)22-16(23)21-9-12-15(20-7-6-19-12)13-5-2-8-24-13/h1-8H,9H2,(H2,21,22,23)
InChIKeyRRDVRXDLVXQPTG-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.34
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea

1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea (PubChem CID 121199004) has the molecular formula C16H12F2N4O2 and a molecular weight of 330.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea
PubChem CID121199004
Molecular FormulaC16H12F2N4O2
Molecular Weight330.29 g/mol
Exact Mass330.09
IUPAC Name1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea
SMILESO=C(NCc1nccnc1-c1ccco1)Nc1c(F)cccc1F
InChIInChI=1S/C16H12F2N4O2/c17-10-3-1-4-11(18)14(10)22-16(23)21-9-12-15(20-7-6-19-12)13-5-2-8-24-13/h1-8H,9H2,(H2,21,22,23)
InChIKeyRRDVRXDLVXQPTG-UHFFFAOYSA-N
XLogP3.34
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea
CID 122163125
1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea
CID 121199008
1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 119105910
3-fluoro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]pyridine-4-carboxamide
CID 119105905
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]oxane-4-carboxamide
CID 121198919
5-fluoro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]pyridine-3-carboxamide
CID 119105906
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]pentanamide
CID 121198710
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-pyrrol-1-ylacetamide
CID 121198831
3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
CID 121198851
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide
CID 121023120
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121198894
(E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide
CID 121198721

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea (CID 121199004) is 1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea is O=C(NCc1nccnc1-c1ccco1)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea?
The InChIKey is RRDVRXDLVXQPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O2/c17-10-3-1-4-11(18)14(10)22-16(23)21-9-12-15(20-7-6-19-12)13-5-2-8-24-13/h1-8H,9H2,(H2,21,22,23).
What are the key properties of 1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea?
1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea has a molecular weight of 330.29 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea is sourced from PubChem (CID 121199004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).