1-[4-(2,4-dimethoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutan-1-amine

C24H23N3O3 — CID 67205742

IUPAC1-[4-(2,4-dimethoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutan-1-amine
SMILESCOc1nc(OC)c2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)oc2n1
InChIInChI=1S/C24H23N3O3/c1-28-21-19-18(15-7-4-3-5-8-15)20(30-22(19)27-23(26-21)29-2)16-9-11-17(12-10-16)24(25)13-6-14-24/h3-5,7-12H,6,13-14,25H2,1-2H3
InChIKeyTXUSNVWQKYMDPN-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.91
Rot. Bonds5

About 1-[4-(2,4-dimethoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutan-1-amine

1-[4-(2,4-dimethoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutan-1-amine (PubChem CID 67205742) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[4-(2,4-dimethoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(2,4-dimethoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutan-1-amine
PubChem CID67205742
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name1-[4-(2,4-dimethoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutan-1-amine
SMILESCOc1nc(OC)c2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)oc2n1
InChIInChI=1S/C24H23N3O3/c1-28-21-19-18(15-7-4-3-5-8-15)20(30-22(19)27-23(26-21)29-2)16-9-11-17(12-10-16)24(25)13-6-14-24/h3-5,7-12H,6,13-14,25H2,1-2H3
InChIKeyTXUSNVWQKYMDPN-UHFFFAOYSA-N
XLogP4.91
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
[1-[4-(2-amino-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutyl]carbamic acid
CID 67206495
[1-[4-[2-(2-hydroxyethoxy)-4-methoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamic acid
CID 67207326
6-[4-(1-aminocyclobutyl)phenyl]-3-(2-methoxyethyl)-2-methylsulfanyl-5-phenylfuro[2,3-d]pyrimidin-4-one;hydrochloride
CID 71073744
6-[4-(1-aminocyclobutyl)phenyl]-2-(ethylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one
CID 67206556
6-[4-(1-aminocyclobutyl)phenyl]-2-(1-hydroxypropan-2-ylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one
CID 67207608
1-[4-(3-phenylfuro[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine
CID 52933258
2-[6-[4-(1-aminocyclobutyl)phenyl]-2-methylsulfanyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-3-yl]acetonitrile
CID 52935353
2-[4-(1-aminocyclobutyl)phenyl]-3-phenylfuro[2,3-b]pyridin-5-amine;trihydrochloride
CID 131740571
6-[4-(1-aminocyclobutyl)phenyl]-3-methyl-5-phenyl-1H-furo[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 71073494
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
3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one
CID 67067831

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(2,4-dimethoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutan-1-amine (CID 67205742) is 1-[4-(2,4-dimethoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(2,4-dimethoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(2,4-dimethoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutan-1-amine is COc1nc(OC)c2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)oc2n1.
What is the InChIKey of 1-[4-(2,4-dimethoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutan-1-amine?
The InChIKey is TXUSNVWQKYMDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-28-21-19-18(15-7-4-3-5-8-15)20(30-22(19)27-23(26-21)29-2)16-9-11-17(12-10-16)24(25)13-6-14-24/h3-5,7-12H,6,13-14,25H2,1-2H3.
What are the key properties of 1-[4-(2,4-dimethoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutan-1-amine?
1-[4-(2,4-dimethoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutan-1-amine has a molecular weight of 401.47 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 67205742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).