[4-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol

C25H20N4O3 — CID 70226943

IUPAC[4-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol
SMILESOCc1cc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)co1
InChIInChI=1S/C25H20N4O3/c30-13-21-10-18(15-32-21)23-11-22-24(12-26-23)27-16-28-25(22)29-19-6-8-20(9-7-19)31-14-17-4-2-1-3-5-17/h1-12,15-16,30H,13-14H2,(H,27,28,29)
InChIKeyZEFNDUULIRVRHG-UHFFFAOYSA-N
MW424.46 g/mol
LogP5.10
Rot. Bonds7

About [4-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol

[4-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol (PubChem CID 70226943) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is [4-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol
PubChem CID70226943
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name[4-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol
SMILESOCc1cc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)co1
InChIInChI=1S/C25H20N4O3/c30-13-21-10-18(15-32-21)23-11-22-24(12-26-23)27-16-28-25(22)29-19-6-8-20(9-7-19)31-14-17-4-2-1-3-5-17/h1-12,15-16,30H,13-14H2,(H,27,28,29)
InChIKeyZEFNDUULIRVRHG-UHFFFAOYSA-N
XLogP5.10
TPSA93.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid
CID 22112894
6-[3-(1,3-dioxolan-2-yl)phenyl]-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 22725131
2-[[5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methylamino]acetic acid
CID 44585507
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
6-chloro-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine;5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carbaldehyde
CID 157169301
6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 57260574
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine
CID 56981677
2-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enoic acid
CID 18535943
6-[4-methyl-1-[(4-methylpiperazin-1-yl)methyl]imidazol-2-yl]-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 70226951
[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate
CID 54081990

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol?
The IUPAC name of [4-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol (CID 70226943) is [4-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol.
What is the SMILES notation for [4-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol?
The canonical SMILES for [4-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol is OCc1cc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3cn2)co1.
What is the InChIKey of [4-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol?
The InChIKey is ZEFNDUULIRVRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c30-13-21-10-18(15-32-21)23-11-22-24(12-26-23)27-16-28-25(22)29-19-6-8-20(9-7-19)31-14-17-4-2-1-3-5-17/h1-12,15-16,30H,13-14H2,(H,27,28,29).
What are the key properties of [4-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol?
[4-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol has a molecular weight of 424.46 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-yl]methanol is sourced from PubChem (CID 70226943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).