7-cyclohexyl-5-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

C24H32N6OS — CID 168887979

IUPAC7-cyclohexyl-5-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESCN(C)c1nc2nc([C@H]3CCO[C@H](c4cnn(C5CC5)c4)C3)nc(C3CCCCC3)c2s1
InChIInChI=1S/C24H32N6OS/c1-29(2)24-28-23-21(32-24)20(15-6-4-3-5-7-15)26-22(27-23)16-10-11-31-19(12-16)17-13-25-30(14-17)18-8-9-18/h13-16,18-19H,3-12H2,1-2H3/t16-,19-/m0/s1
InChIKeyJVPIDBUVVNZYRT-LPHOPBHVSA-N
MW452.63 g/mol
LogP5.37
Rot. Bonds5

About 7-cyclohexyl-5-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

7-cyclohexyl-5-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (PubChem CID 168887979) has the molecular formula C24H32N6OS and a molecular weight of 452.63 g/mol. Its IUPAC name is 7-cyclohexyl-5-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-cyclohexyl-5-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
PubChem CID168887979
Molecular FormulaC24H32N6OS
Molecular Weight452.63 g/mol
Exact Mass452.24
IUPAC Name7-cyclohexyl-5-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESCN(C)c1nc2nc([C@H]3CCO[C@H](c4cnn(C5CC5)c4)C3)nc(C3CCCCC3)c2s1
InChIInChI=1S/C24H32N6OS/c1-29(2)24-28-23-21(32-24)20(15-6-4-3-5-7-15)26-22(27-23)16-10-11-31-19(12-16)17-13-25-30(14-17)18-8-9-18/h13-16,18-19H,3-12H2,1-2H3/t16-,19-/m0/s1
InChIKeyJVPIDBUVVNZYRT-LPHOPBHVSA-N
XLogP5.37
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.63
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-cyclohexyl-5-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine with MolForge

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Related Compounds

5-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
CID 168887865
7-(4-chloro-2,5-difluorophenyl)-5-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
CID 172592849
5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
CID 168887804
2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridine
CID 166123326
2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine
CID 166122367
2-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine;trifluoromethylcyclobutane
CID 166122825
2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pteridine
CID 166123081
2-cyclopropyl-5-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-[2-fluoro-4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidine
CID 168887930
7-cyclopropyl-2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-N,N-dimethylpteridine-6-carboxamide
CID 166121243
2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine
CID 166121798
1-[7-cyclopropyl-2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)pteridin-6-yl]-N,N-dimethylethenamine
CID 166123304
4-(4-chloro-2-fluorophenyl)-2-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpyrido[2,3-d]pyrimidine
CID 157045736

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-5-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The IUPAC name of 7-cyclohexyl-5-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (CID 168887979) is 7-cyclohexyl-5-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.
What is the SMILES notation for 7-cyclohexyl-5-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The canonical SMILES for 7-cyclohexyl-5-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is CN(C)c1nc2nc([C@H]3CCO[C@H](c4cnn(C5CC5)c4)C3)nc(C3CCCCC3)c2s1.
What is the InChIKey of 7-cyclohexyl-5-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The InChIKey is JVPIDBUVVNZYRT-LPHOPBHVSA-N. The full InChI is InChI=1S/C24H32N6OS/c1-29(2)24-28-23-21(32-24)20(15-6-4-3-5-7-15)26-22(27-23)16-10-11-31-19(12-16)17-13-25-30(14-17)18-8-9-18/h13-16,18-19H,3-12H2,1-2H3/t16-,19-/m0/s1.
What are the key properties of 7-cyclohexyl-5-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
7-cyclohexyl-5-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine has a molecular weight of 452.63 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-5-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is sourced from PubChem (CID 168887979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).