[1-[4-[2-(2-hydroxyethoxy)-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamic acid

C26H25N3O6 — CID 67207326

IUPAC[1-[4-[2-(2-hydroxyethoxy)-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamic acid
SMILESCOc1nc(OCCO)nc2oc(-c3ccc(C4(NC(=O)O)CCC4)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C26H25N3O6/c1-33-22-20-19(16-6-3-2-4-7-16)21(35-23(20)28-24(27-22)34-15-14-30)17-8-10-18(11-9-17)26(12-5-13-26)29-25(31)32/h2-4,6-11,29-30H,5,12-15H2,1H3,(H,31,32)
InChIKeyUBFAYJXFCFTPMF-UHFFFAOYSA-N
MW475.50 g/mol
LogP4.58
Rot. Bonds8

About [1-[4-[2-(2-hydroxyethoxy)-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamic acid

[1-[4-[2-(2-hydroxyethoxy)-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamic acid (PubChem CID 67207326) has the molecular formula C26H25N3O6 and a molecular weight of 475.50 g/mol. Its IUPAC name is [1-[4-[2-(2-hydroxyethoxy)-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-[2-(2-hydroxyethoxy)-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamic acid
PubChem CID67207326
Molecular FormulaC26H25N3O6
Molecular Weight475.50 g/mol
Exact Mass475.17
IUPAC Name[1-[4-[2-(2-hydroxyethoxy)-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamic acid
SMILESCOc1nc(OCCO)nc2oc(-c3ccc(C4(NC(=O)O)CCC4)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C26H25N3O6/c1-33-22-20-19(16-6-3-2-4-7-16)21(35-23(20)28-24(27-22)34-15-14-30)17-8-10-18(11-9-17)26(12-5-13-26)29-25(31)32/h2-4,6-11,29-30H,5,12-15H2,1H3,(H,31,32)
InChIKeyUBFAYJXFCFTPMF-UHFFFAOYSA-N
XLogP4.58
TPSA126.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[4-(2-amino-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamic acid
CID 67206495
1-[4-(2,4-dimethoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutan-1-amine
CID 67205742
[1-[4-(3-ethyl-2-methylsulfinyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamic acid
CID 70661978
tert-butyl N-[1-[4-methoxy-6-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-5-phenylfuro[2,3-d]pyrimidin-2-yl]piperidin-4-yl]carbamate
CID 123488061
tert-butyl N-[1-[4-[3-ethyl-2-(2-hydroxyethylamino)-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate
CID 71073577
tert-butyl N-[1-[4-[2-(ethylamino)-3-methyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate
CID 67207219
tert-butyl N-[1-[4-[3-ethyl-2-(methylamino)-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate
CID 67207519
[1-[4-[5-methyl-7-(methylcarbamoyl)-4-oxo-3-phenylfuro[3,2-c]pyridin-2-yl]phenyl]cyclobutyl]carbamic acid
CID 67206822
tert-butyl N-[1-[4-(3-methyl-2-methylsulfonyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamate
CID 67206656
tert-butyl N-[1-[4-(8-methoxy-4-oxo-2-phenylpyrano[2,3-c]pyridin-3-yl)phenyl]cyclobutyl]carbamate
CID 67067750
[1-[4-(8-formyl-4-oxo-2-phenylchromen-3-yl)phenyl]cyclobutyl]carbamic acid
CID 154332496
tert-butyl N-[1-[4-(2-methylsulfonyl-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamate
CID 67207846

Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-(2-hydroxyethoxy)-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamic acid?
The IUPAC name of [1-[4-[2-(2-hydroxyethoxy)-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamic acid (CID 67207326) is [1-[4-[2-(2-hydroxyethoxy)-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamic acid.
What is the SMILES notation for [1-[4-[2-(2-hydroxyethoxy)-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamic acid?
The canonical SMILES for [1-[4-[2-(2-hydroxyethoxy)-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamic acid is COc1nc(OCCO)nc2oc(-c3ccc(C4(NC(=O)O)CCC4)cc3)c(-c3ccccc3)c12.
What is the InChIKey of [1-[4-[2-(2-hydroxyethoxy)-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamic acid?
The InChIKey is UBFAYJXFCFTPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O6/c1-33-22-20-19(16-6-3-2-4-7-16)21(35-23(20)28-24(27-22)34-15-14-30)17-8-10-18(11-9-17)26(12-5-13-26)29-25(31)32/h2-4,6-11,29-30H,5,12-15H2,1H3,(H,31,32).
What are the key properties of [1-[4-[2-(2-hydroxyethoxy)-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamic acid?
[1-[4-[2-(2-hydroxyethoxy)-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamic acid has a molecular weight of 475.50 g/mol, XLogP of 4.58, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2-(2-hydroxyethoxy)-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 67207326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).