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

C26H22ClN5O3 — CID 91533707

IUPAC1-[4-[4-amino-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-(4-chlorophenyl)urea
SMILESCOc1ccc(C2=Nc3occc3C(N)N2c2ccc(N(C(N)=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C26H22ClN5O3/c1-34-21-12-2-16(3-13-21)24-30-25-22(14-15-35-25)23(28)32(24)20-10-8-19(9-11-20)31(26(29)33)18-6-4-17(27)5-7-18/h2-15,23H,28H2,1H3,(H2,29,33)
InChIKeyOJFQZTOPUOTJBL-UHFFFAOYSA-N
MW487.95 g/mol
LogP5.71
Rot. Bonds5

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

1-[4-[4-amino-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-(4-chlorophenyl)urea (PubChem CID 91533707) has the molecular formula C26H22ClN5O3 and a molecular weight of 487.95 g/mol. Its IUPAC name is 1-[4-[4-amino-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[4-[4-amino-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-(4-chlorophenyl)urea
PubChem CID91533707
Molecular FormulaC26H22ClN5O3
Molecular Weight487.95 g/mol
Exact Mass487.14
IUPAC Name1-[4-[4-amino-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-(4-chlorophenyl)urea
SMILESCOc1ccc(C2=Nc3occc3C(N)N2c2ccc(N(C(N)=O)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C26H22ClN5O3/c1-34-21-12-2-16(3-13-21)24-30-25-22(14-15-35-25)23(28)32(24)20-10-8-19(9-11-20)31(26(29)33)18-6-4-17(27)5-7-18/h2-15,23H,28H2,1H3,(H2,29,33)
InChIKeyOJFQZTOPUOTJBL-UHFFFAOYSA-N
XLogP5.71
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.95
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

[4-[4-amino-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]urea
CID 69209035
2-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-4H-furo[2,3-d]pyrimidin-4-amine
CID 69209230
N-[5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorophenyl]methanesulfonamide
CID 69208758
methyl 3-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]benzoate
CID 69210521
N-[3-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]phenyl]methanesulfonamide
CID 69205824
tert-butyl N-[2-(N-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidine-2-carbonyl]anilino)ethyl]carbamate
CID 69205539
1-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-3-(2-fluoro-5-methoxyphenyl)urea
CID 69208786
methyl 2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole-5-carboxylate
CID 15318658
(5E)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)imidazol-4-one
CID 126003616
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
2-(4-chlorophenoxy)-N-(4-methoxyphenyl)acetohydrazide
CID 163509592
3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide
CID 24561175

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-amino-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-(4-chlorophenyl)urea?
The IUPAC name of 1-[4-[4-amino-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-(4-chlorophenyl)urea (CID 91533707) is 1-[4-[4-amino-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[4-[4-amino-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-(4-chlorophenyl)urea?
The canonical SMILES for 1-[4-[4-amino-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-(4-chlorophenyl)urea is COc1ccc(C2=Nc3occc3C(N)N2c2ccc(N(C(N)=O)c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[4-amino-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-(4-chlorophenyl)urea?
The InChIKey is OJFQZTOPUOTJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5O3/c1-34-21-12-2-16(3-13-21)24-30-25-22(14-15-35-25)23(28)32(24)20-10-8-19(9-11-20)31(26(29)33)18-6-4-17(27)5-7-18/h2-15,23H,28H2,1H3,(H2,29,33).
What are the key properties of 1-[4-[4-amino-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-(4-chlorophenyl)urea?
1-[4-[4-amino-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-(4-chlorophenyl)urea has a molecular weight of 487.95 g/mol, XLogP of 5.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-amino-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-(4-chlorophenyl)urea is sourced from PubChem (CID 91533707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).