2-(5,7-difluoro-1H-indol-3-yl)-6-(4-phenoxyphenyl)-N-(2-propylcyclohexyl)pyrimidin-4-amine

C33H32F2N4O — CID 142287875

IUPAC2-(5,7-difluoro-1H-indol-3-yl)-6-(4-phenoxyphenyl)-N-(2-propylcyclohexyl)pyrimidin-4-amine
SMILESCCCC1CCCCC1Nc1cc(-c2ccc(Oc3ccccc3)cc2)nc(-c2c[nH]c3c(F)cc(F)cc23)n1
InChIInChI=1S/C33H32F2N4O/c1-2-8-21-9-6-7-12-29(21)37-31-19-30(22-13-15-25(16-14-22)40-24-10-4-3-5-11-24)38-33(39-31)27-20-36-32-26(27)17-23(34)18-28(32)35/h3-5,10-11,13-21,29,36H,2,6-9,12H2,1H3,(H,37,38,39)
InChIKeyFDPCOIBMADYZDW-UHFFFAOYSA-N
MW538.64 g/mol
LogP9.13
Rot. Bonds8

About 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-phenoxyphenyl)-N-(2-propylcyclohexyl)pyrimidin-4-amine

2-(5,7-difluoro-1H-indol-3-yl)-6-(4-phenoxyphenyl)-N-(2-propylcyclohexyl)pyrimidin-4-amine (PubChem CID 142287875) has the molecular formula C33H32F2N4O and a molecular weight of 538.64 g/mol. Its IUPAC name is 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-phenoxyphenyl)-N-(2-propylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5,7-difluoro-1H-indol-3-yl)-6-(4-phenoxyphenyl)-N-(2-propylcyclohexyl)pyrimidin-4-amine
PubChem CID142287875
Molecular FormulaC33H32F2N4O
Molecular Weight538.64 g/mol
Exact Mass538.25
IUPAC Name2-(5,7-difluoro-1H-indol-3-yl)-6-(4-phenoxyphenyl)-N-(2-propylcyclohexyl)pyrimidin-4-amine
SMILESCCCC1CCCCC1Nc1cc(-c2ccc(Oc3ccccc3)cc2)nc(-c2c[nH]c3c(F)cc(F)cc23)n1
InChIInChI=1S/C33H32F2N4O/c1-2-8-21-9-6-7-12-29(21)37-31-19-30(22-13-15-25(16-14-22)40-24-10-4-3-5-11-24)38-33(39-31)27-20-36-32-26(27)17-23(34)18-28(32)35/h3-5,10-11,13-21,29,36H,2,6-9,12H2,1H3,(H,37,38,39)
InChIKeyFDPCOIBMADYZDW-UHFFFAOYSA-N
XLogP9.13
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.64
LogP ≤ 59.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-phenoxyphenyl)-N-(2-propylcyclohexyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787
7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538789
5-[(1E)-(ethoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 16066844
5-[(1E)-(methoxyimino)methyl]-6-[(3-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646050
6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646051
6-[(6-fluoro-1H-indol-5-yl)oxy]-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646052
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-(propoxyimino)methyl]pyrimidin-4-amine
CID 23646053
5-[(1E)-(butoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646054
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-[(prop-2-en-1-yloxy)imino]methyl]pyrimidin-4-amine
CID 23646055

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-phenoxyphenyl)-N-(2-propylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-phenoxyphenyl)-N-(2-propylcyclohexyl)pyrimidin-4-amine (CID 142287875) is 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-phenoxyphenyl)-N-(2-propylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-phenoxyphenyl)-N-(2-propylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-phenoxyphenyl)-N-(2-propylcyclohexyl)pyrimidin-4-amine is CCCC1CCCCC1Nc1cc(-c2ccc(Oc3ccccc3)cc2)nc(-c2c[nH]c3c(F)cc(F)cc23)n1.
What is the InChIKey of 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-phenoxyphenyl)-N-(2-propylcyclohexyl)pyrimidin-4-amine?
The InChIKey is FDPCOIBMADYZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F2N4O/c1-2-8-21-9-6-7-12-29(21)37-31-19-30(22-13-15-25(16-14-22)40-24-10-4-3-5-11-24)38-33(39-31)27-20-36-32-26(27)17-23(34)18-28(32)35/h3-5,10-11,13-21,29,36H,2,6-9,12H2,1H3,(H,37,38,39).
What are the key properties of 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-phenoxyphenyl)-N-(2-propylcyclohexyl)pyrimidin-4-amine?
2-(5,7-difluoro-1H-indol-3-yl)-6-(4-phenoxyphenyl)-N-(2-propylcyclohexyl)pyrimidin-4-amine has a molecular weight of 538.64 g/mol, XLogP of 9.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-difluoro-1H-indol-3-yl)-6-(4-phenoxyphenyl)-N-(2-propylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 142287875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).