N-cyclohexyl-6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine

C27H29N3O4 — CID 90963338

IUPACN-cyclohexyl-6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2c(-c3ccc(OC)c(OC)c3)oc3ncnc(NC4CCCCC4)c23)cc1
InChIInChI=1S/C27H29N3O4/c1-31-20-12-9-17(10-13-20)23-24-26(30-19-7-5-4-6-8-19)28-16-29-27(24)34-25(23)18-11-14-21(32-2)22(15-18)33-3/h9-16,19H,4-8H2,1-3H3,(H,28,29,30)
InChIKeyVOZXRMXKKGNEKJ-UHFFFAOYSA-N
MW459.55 g/mol
LogP6.33
Rot. Bonds7

About N-cyclohexyl-6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine

N-cyclohexyl-6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine (PubChem CID 90963338) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-cyclohexyl-6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
PubChem CID90963338
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC NameN-cyclohexyl-6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2c(-c3ccc(OC)c(OC)c3)oc3ncnc(NC4CCCCC4)c23)cc1
InChIInChI=1S/C27H29N3O4/c1-31-20-12-9-17(10-13-20)23-24-26(30-19-7-5-4-6-8-19)28-16-29-27(24)34-25(23)18-11-14-21(32-2)22(15-18)33-3/h9-16,19H,4-8H2,1-3H3,(H,28,29,30)
InChIKeyVOZXRMXKKGNEKJ-UHFFFAOYSA-N
XLogP6.33
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
CID 86211262
5-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]pent-1-en-2-ol
CID 89049958
tert-butyl 3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 58280098
tert-butyl 2-[(1R)-3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]oxyacetate
CID 70870495
tert-butyl 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]acetate
CID 67160804
[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol
CID 58016781
5,6-bis(4-methoxyphenyl)-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidine
CID 142215847
N-cyclohexyl-3-(3-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359553
1-[6-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)furo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 91228180
3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol
CID 58280188
5-(4-methoxyphenyl)-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine
CID 58603257
(2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 59322556

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine (CID 90963338) is N-cyclohexyl-6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine is COc1ccc(-c2c(-c3ccc(OC)c(OC)c3)oc3ncnc(NC4CCCCC4)c23)cc1.
What is the InChIKey of N-cyclohexyl-6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine?
The InChIKey is VOZXRMXKKGNEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-31-20-12-9-17(10-13-20)23-24-26(30-19-7-5-4-6-8-19)28-16-29-27(24)34-25(23)18-11-14-21(32-2)22(15-18)33-3/h9-16,19H,4-8H2,1-3H3,(H,28,29,30).
What are the key properties of N-cyclohexyl-6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine?
N-cyclohexyl-6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine has a molecular weight of 459.55 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 90963338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).