7-cyclohexyl-5-(4-phenoxyphenyl)thieno[3,4-d]pyrimidin-4-amine

C24H23N3OS — CID 177157791

IUPAC7-cyclohexyl-5-(4-phenoxyphenyl)thieno[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c(C3CCCCC3)sc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C24H23N3OS/c25-24-20-21(26-15-27-24)23(16-7-3-1-4-8-16)29-22(20)17-11-13-19(14-12-17)28-18-9-5-2-6-10-18/h2,5-6,9-16H,1,3-4,7-8H2,(H2,25,26,27)
InChIKeyBTBNAMFPCNQTFA-UHFFFAOYSA-N
MW401.54 g/mol
LogP6.78
Rot. Bonds4

About 7-cyclohexyl-5-(4-phenoxyphenyl)thieno[3,4-d]pyrimidin-4-amine

7-cyclohexyl-5-(4-phenoxyphenyl)thieno[3,4-d]pyrimidin-4-amine (PubChem CID 177157791) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is 7-cyclohexyl-5-(4-phenoxyphenyl)thieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-cyclohexyl-5-(4-phenoxyphenyl)thieno[3,4-d]pyrimidin-4-amine
PubChem CID177157791
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC Name7-cyclohexyl-5-(4-phenoxyphenyl)thieno[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c(C3CCCCC3)sc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C24H23N3OS/c25-24-20-21(26-15-27-24)23(16-7-3-1-4-8-16)29-22(20)17-11-13-19(14-12-17)28-18-9-5-2-6-10-18/h2,5-6,9-16H,1,3-4,7-8H2,(H2,25,26,27)
InChIKeyBTBNAMFPCNQTFA-UHFFFAOYSA-N
XLogP6.78
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-5-(4-phenoxyphenyl)pyrimidine-4,6-diamine
CID 150345252
7-[4-[(3S)-3-methylpiperazin-1-yl]cyclohexyl]-5-(4-phenoxyphenyl)thieno[3,4-d]pyrimidin-3-ium-4-amine
CID 178016158
4-[3-[[4-[4-[4-amino-5-(4-phenoxyphenyl)thieno[3,4-d]pyrimidin-7-yl]cyclohexyl]piperazin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 177157821
6-bromo-7-cyclohexyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156857293
7-cyclobutyl-6-iodo-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 167079933
6-chloro-7-cyclopentyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 12968172
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 178016203
1-[3-[4-amino-6-(4-phenoxyphenyl)quinazolin-8-yl]piperidin-1-yl]prop-2-en-1-one
CID 134264899
6-cyclopentyl-8-(4-phenoxyphenyl)pyrrolo[1,2-a]pyrazin-1-amine
CID 21036872
7-cyclohexyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine;ethane;1-methylpiperazine
CID 156857412
5-(4-phenoxyphenyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
CID 71092816
6-chloro-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 151327093

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-5-(4-phenoxyphenyl)thieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 7-cyclohexyl-5-(4-phenoxyphenyl)thieno[3,4-d]pyrimidin-4-amine (CID 177157791) is 7-cyclohexyl-5-(4-phenoxyphenyl)thieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7-cyclohexyl-5-(4-phenoxyphenyl)thieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7-cyclohexyl-5-(4-phenoxyphenyl)thieno[3,4-d]pyrimidin-4-amine is Nc1ncnc2c(C3CCCCC3)sc(-c3ccc(Oc4ccccc4)cc3)c12.
What is the InChIKey of 7-cyclohexyl-5-(4-phenoxyphenyl)thieno[3,4-d]pyrimidin-4-amine?
The InChIKey is BTBNAMFPCNQTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c25-24-20-21(26-15-27-24)23(16-7-3-1-4-8-16)29-22(20)17-11-13-19(14-12-17)28-18-9-5-2-6-10-18/h2,5-6,9-16H,1,3-4,7-8H2,(H2,25,26,27).
What are the key properties of 7-cyclohexyl-5-(4-phenoxyphenyl)thieno[3,4-d]pyrimidin-4-amine?
7-cyclohexyl-5-(4-phenoxyphenyl)thieno[3,4-d]pyrimidin-4-amine has a molecular weight of 401.54 g/mol, XLogP of 6.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-5-(4-phenoxyphenyl)thieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 177157791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).