1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea

C13H16N4O2 — CID 121199008

IUPAC1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCc1nccnc1-c1ccco1
InChIInChI=1S/C13H16N4O2/c1-9(2)17-13(18)16-8-10-12(15-6-5-14-10)11-4-3-7-19-11/h3-7,9H,8H2,1-2H3,(H2,16,17,18)
InChIKeyKOKKWYVFFHHTEV-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.94
Rot. Bonds4

About 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea

1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea (PubChem CID 121199008) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea
PubChem CID121199008
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCc1nccnc1-c1ccco1
InChIInChI=1S/C13H16N4O2/c1-9(2)17-13(18)16-8-10-12(15-6-5-14-10)11-4-3-7-19-11/h3-7,9H,8H2,1-2H3,(H2,16,17,18)
InChIKeyKOKKWYVFFHHTEV-UHFFFAOYSA-N
XLogP1.94
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-3-[[3-(furan-2-yl)pyrazin-2-yl]methyl]urea
CID 121199004
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]pentanamide
CID 121198710
1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 119105910
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 119105871
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-pyrrol-1-ylacetamide
CID 121198831
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 121198890
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide
CID 121023120
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 119105889
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 121023123
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-methylpropane-1-sulfonamide
CID 121199016
(E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide
CID 121198721
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]naphthalene-1-carboxamide
CID 121198866

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea (CID 121199008) is 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea is CC(C)NC(=O)NCc1nccnc1-c1ccco1.
What is the InChIKey of 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea?
The InChIKey is KOKKWYVFFHHTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(2)17-13(18)16-8-10-12(15-6-5-14-10)11-4-3-7-19-11/h3-7,9H,8H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea?
1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea has a molecular weight of 260.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea is sourced from PubChem (CID 121199008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).