1-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea

C20H18FN5O3 — CID 69208786

IUPAC1-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea
SMILESCOc1ccc(F)c(NC(=O)Nc2ccc(N3C=Nc4occc4C3N)cc2)c1
InChIInChI=1S/C20H18FN5O3/c1-28-14-6-7-16(21)17(10-14)25-20(27)24-12-2-4-13(5-3-12)26-11-23-19-15(18(26)22)8-9-29-19/h2-11,18H,22H2,1H3,(H2,24,25,27)
InChIKeyIWCAWFVEUMENEW-UHFFFAOYSA-N
MW395.39 g/mol
LogP4.21
Rot. Bonds4

About 1-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea

1-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea (PubChem CID 69208786) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 g/mol. Its IUPAC name is 1-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea
PubChem CID69208786
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Name1-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea
SMILESCOc1ccc(F)c(NC(=O)Nc2ccc(N3C=Nc4occc4C3N)cc2)c1
InChIInChI=1S/C20H18FN5O3/c1-28-14-6-7-16(21)17(10-14)25-20(27)24-12-2-4-13(5-3-12)26-11-23-19-15(18(26)22)8-9-29-19/h2-11,18H,22H2,1H3,(H2,24,25,27)
InChIKeyIWCAWFVEUMENEW-UHFFFAOYSA-N
XLogP4.21
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea with MolForge

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Related Compounds

1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 69205459
1-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 69205771
[4-[4-amino-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]urea
CID 69209035
N-[5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorophenyl]methanesulfonamide
CID 69208758
3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide
CID 113416369
4-(2-fluoro-5-methoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498802
1-[4-(4-amino-4H-thieno[2,3-d]pyrimidin-3-yl)phenyl]-3-(3-methylphenyl)urea
CID 69205545
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-[[1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]phenyl]urea
CID 162395682
1-(2,5-dimethoxyphenyl)-3-[4-(3-methylpyrazol-1-yl)phenyl]urea
CID 35521100
chloromethyl N-(2-fluoro-5-methoxyphenyl)carbamate
CID 164660390
1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 69205460

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea?
The IUPAC name of 1-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea (CID 69208786) is 1-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea is COc1ccc(F)c(NC(=O)Nc2ccc(N3C=Nc4occc4C3N)cc2)c1.
What is the InChIKey of 1-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea?
The InChIKey is IWCAWFVEUMENEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3/c1-28-14-6-7-16(21)17(10-14)25-20(27)24-12-2-4-13(5-3-12)26-11-23-19-15(18(26)22)8-9-29-19/h2-11,18H,22H2,1H3,(H2,24,25,27).
What are the key properties of 1-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea?
1-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea has a molecular weight of 395.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea is sourced from PubChem (CID 69208786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).