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

C20H16FN5O3 — CID 23646940

IUPAC1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea
SMILESCOc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1
InChIInChI=1S/C20H16FN5O3/c1-28-13-6-7-15(21)16(8-13)26-20(27)25-12-4-2-11(3-5-12)14-9-29-19-17(14)18(22)23-10-24-19/h2-10H,1H3,(H2,22,23,24)(H2,25,26,27)
InChIKeyJCCJOFRCRNWJTG-UHFFFAOYSA-N
MW393.38 g/mol
LogP4.26
Rot. Bonds4

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

1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea (PubChem CID 23646940) has the molecular formula C20H16FN5O3 and a molecular weight of 393.38 g/mol. Its IUPAC name is 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea
PubChem CID23646940
Molecular FormulaC20H16FN5O3
Molecular Weight393.38 g/mol
Exact Mass393.12
IUPAC Name1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea
SMILESCOc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1
InChIInChI=1S/C20H16FN5O3/c1-28-13-6-7-15(21)16(8-13)26-20(27)25-12-4-2-11(3-5-12)14-9-29-19-17(14)18(22)23-10-24-19/h2-10H,1H3,(H2,22,23,24)(H2,25,26,27)
InChIKeyJCCJOFRCRNWJTG-UHFFFAOYSA-N
XLogP4.26
TPSA115.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide
CID 46212971
3-[(5,6-Diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 1583275
2-((5,6-Diphenylfuro(2,3-D)pyrimidin-4-YL)amino)ethanol
CID 1587957
1-(4-(4-Amino-6-(4-methoxyphenyl)furo(2,3-d)pyrimidin-5-yl)phenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea
CID 5326956
5,6-Diphenylfuro[2,3-d]pyrimidin-4-amine
CID 290208
Furo[2,3-d]pyrimidine deriv. 7d
CID 5329806
Furo[2,3-d]pyrimidine deriv. 7e
CID 5329807
N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]hexanamide
CID 6539738
4-Acylamino-6-arylfuro[2,3-d]pyrimidine 15
CID 6539749
N-[6-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]cyclopropanecarboxamide
CID 6539752
4-Acylamino-6-arylfuro[2,3-d]pyrimidine 20
CID 6539754
N-[6-(4-methylphenyl)furo[2,3-d]pyrimidin-4-yl]cyclopentanecarboxamide
CID 6539756

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea?
The IUPAC name of 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea (CID 23646940) is 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea is COc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1.
What is the InChIKey of 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea?
The InChIKey is JCCJOFRCRNWJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3/c1-28-13-6-7-15(21)16(8-13)26-20(27)25-12-4-2-11(3-5-12)14-9-29-19-17(14)18(22)23-10-24-19/h2-10H,1H3,(H2,22,23,24)(H2,25,26,27).
What are the key properties of 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea?
1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea has a molecular weight of 393.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea is sourced from PubChem (CID 23646940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).