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

C24H22N4O4 — CID 67206495

IUPAC[1-[4-(2-amino-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamic acid
SMILESCOc1nc(N)nc2oc(-c3ccc(C4(NC(=O)O)CCC4)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C24H22N4O4/c1-31-20-18-17(14-6-3-2-4-7-14)19(32-21(18)27-22(25)26-20)15-8-10-16(11-9-15)24(12-5-13-24)28-23(29)30/h2-4,6-11,28H,5,12-13H2,1H3,(H,29,30)(H2,25,26,27)
InChIKeyPTGWZXQICVABFE-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.79
Rot. Bonds5

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

[1-[4-(2-amino-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamic acid (PubChem CID 67206495) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is [1-[4-(2-amino-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-(2-amino-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamic acid
PubChem CID67206495
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name[1-[4-(2-amino-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamic acid
SMILESCOc1nc(N)nc2oc(-c3ccc(C4(NC(=O)O)CCC4)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C24H22N4O4/c1-31-20-18-17(14-6-3-2-4-7-14)19(32-21(18)27-22(25)26-20)15-8-10-16(11-9-15)24(12-5-13-24)28-23(29)30/h2-4,6-11,28H,5,12-13H2,1H3,(H,29,30)(H2,25,26,27)
InChIKeyPTGWZXQICVABFE-UHFFFAOYSA-N
XLogP4.79
TPSA123.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-[2-(2-hydroxyethoxy)-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamic acid
CID 67207326
1-[4-(2,4-dimethoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutan-1-amine
CID 67205742
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
[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-[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
[1-[4-(8-formyl-4-oxo-2-phenylchromen-3-yl)phenyl]cyclobutyl]carbamic acid
CID 154332496
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-(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-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutan-1-amine
CID 52933505

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-amino-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamic acid?
The IUPAC name of [1-[4-(2-amino-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamic acid (CID 67206495) is [1-[4-(2-amino-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamic acid.
What is the SMILES notation for [1-[4-(2-amino-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamic acid?
The canonical SMILES for [1-[4-(2-amino-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamic acid is COc1nc(N)nc2oc(-c3ccc(C4(NC(=O)O)CCC4)cc3)c(-c3ccccc3)c12.
What is the InChIKey of [1-[4-(2-amino-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamic acid?
The InChIKey is PTGWZXQICVABFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-31-20-18-17(14-6-3-2-4-7-14)19(32-21(18)27-22(25)26-20)15-8-10-16(11-9-15)24(12-5-13-24)28-23(29)30/h2-4,6-11,28H,5,12-13H2,1H3,(H,29,30)(H2,25,26,27).
What are the key properties of [1-[4-(2-amino-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamic acid?
[1-[4-(2-amino-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamic acid has a molecular weight of 430.46 g/mol, XLogP of 4.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-amino-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 67206495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).