7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-(2-propan-2-ylpyrrolidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

C25H22Cl3F3N6S — CID 59646527

IUPAC7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-(2-propan-2-ylpyrrolidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESCC(C)C1CCCN1c1nc(Nc2ccc(C(F)(F)F)c(Cl)c2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
InChIInChI=1S/C25H22Cl3F3N6S/c1-12(2)18-7-4-10-37(18)23-35-21(32-13-8-9-14(17(28)11-13)25(29,30)31)20-22(36-23)38-24(34-20)33-19-15(26)5-3-6-16(19)27/h3,5-6,8-9,11-12,18H,4,7,10H2,1-2H3,(H,33,34)(H,32,35,36)
InChIKeyDSHOAISKGCIZRK-UHFFFAOYSA-N
MW601.91 g/mol
LogP9.18
Rot. Bonds6

About 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-(2-propan-2-ylpyrrolidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-(2-propan-2-ylpyrrolidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (PubChem CID 59646527) has the molecular formula C25H22Cl3F3N6S and a molecular weight of 601.91 g/mol. Its IUPAC name is 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-(2-propan-2-ylpyrrolidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-(2-propan-2-ylpyrrolidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
PubChem CID59646527
Molecular FormulaC25H22Cl3F3N6S
Molecular Weight601.91 g/mol
Exact Mass600.06
IUPAC Name7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-(2-propan-2-ylpyrrolidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESCC(C)C1CCCN1c1nc(Nc2ccc(C(F)(F)F)c(Cl)c2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
InChIInChI=1S/C25H22Cl3F3N6S/c1-12(2)18-7-4-10-37(18)23-35-21(32-13-8-9-14(17(28)11-13)25(29,30)31)20-22(36-23)38-24(34-20)33-19-15(26)5-3-6-16(19)27/h3,5-6,8-9,11-12,18H,4,7,10H2,1-2H3,(H,33,34)(H,32,35,36)
InChIKeyDSHOAISKGCIZRK-UHFFFAOYSA-N
XLogP9.18
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.91
LogP ≤ 59.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-(2-propan-2-ylpyrrolidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine with MolForge

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Related Compounds

7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dimethylphenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 59646409
5-N-(cyclopropylmethyl)-2-N-(2,6-dichlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine
CID 24883353
2-[(2,6-dichlorophenyl)methyl]-5-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 163910096
2-N-(2,6-dichlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24882956
2-N-(2,6-dichlorophenyl)-5-methyl-7-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24883398
7-N-[3-chloro-4-(trifluoromethylsulfanyl)phenyl]-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine;1,3-xylene
CID 143604327
2-N-(2,6-dichlorophenyl)-7-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 44569894
7-chloro-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 59646451
2-N-[2,6-bis(methylsulfonyl)phenyl]-5-methyl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24883351
2-N-(2,6-dichlorophenyl)-7-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 44569785
7-chloro-N-[2-chloro-6-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 59646413
5-(2-chloro-6-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 87780760

Frequently Asked Questions

What is the IUPAC name of 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-(2-propan-2-ylpyrrolidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The IUPAC name of 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-(2-propan-2-ylpyrrolidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (CID 59646527) is 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-(2-propan-2-ylpyrrolidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-(2-propan-2-ylpyrrolidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The canonical SMILES for 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-(2-propan-2-ylpyrrolidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is CC(C)C1CCCN1c1nc(Nc2ccc(C(F)(F)F)c(Cl)c2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1.
What is the InChIKey of 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-(2-propan-2-ylpyrrolidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The InChIKey is DSHOAISKGCIZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl3F3N6S/c1-12(2)18-7-4-10-37(18)23-35-21(32-13-8-9-14(17(28)11-13)25(29,30)31)20-22(36-23)38-24(34-20)33-19-15(26)5-3-6-16(19)27/h3,5-6,8-9,11-12,18H,4,7,10H2,1-2H3,(H,33,34)(H,32,35,36).
What are the key properties of 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-(2-propan-2-ylpyrrolidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-(2-propan-2-ylpyrrolidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine has a molecular weight of 601.91 g/mol, XLogP of 9.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-(2-propan-2-ylpyrrolidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 59646527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).