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

C24H26N6O2S — CID 168887865

IUPAC5-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESCN(C)c1nc2nc(C3CCOC(c4cnn(C5CC5)c4)C3)nc(Oc3ccccc3)c2s1
InChIInChI=1S/C24H26N6O2S/c1-29(2)24-28-22-20(33-24)23(32-18-6-4-3-5-7-18)27-21(26-22)15-10-11-31-19(12-15)16-13-25-30(14-16)17-8-9-17/h3-7,13-15,17,19H,8-12H2,1-2H3
InChIKeyIVFBAMNUYXWPJV-UHFFFAOYSA-N
MW462.58 g/mol
LogP5.11
Rot. Bonds6

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

5-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (PubChem CID 168887865) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is 5-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
PubChem CID168887865
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC Name5-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESCN(C)c1nc2nc(C3CCOC(c4cnn(C5CC5)c4)C3)nc(Oc3ccccc3)c2s1
InChIInChI=1S/C24H26N6O2S/c1-29(2)24-28-22-20(33-24)23(32-18-6-4-3-5-7-18)27-21(26-22)15-10-11-31-19(12-15)16-13-25-30(14-16)17-8-9-17/h3-7,13-15,17,19H,8-12H2,1-2H3
InChIKeyIVFBAMNUYXWPJV-UHFFFAOYSA-N
XLogP5.11
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.58
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
5-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
CID 168888055
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)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpteridine
CID 166122367
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
2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(6-methoxy-3-pyridinyl)-6,7-dimethylpteridine
CID 166123288
2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine
CID 166123010
2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-[4-(difluoromethoxy)-2-fluorophenyl]-6,7-dimethylpteridine
CID 166121512
2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(4,4-difluorocyclohexyl)-6,7-dimethylpteridine
CID 166123326
4-(4-chloro-2-fluorophenyl)-2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6-methoxy-7-methylpteridine
CID 166122783
2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine
CID 166121798

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The IUPAC name of 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) is 5-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The canonical SMILES for 5-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is CN(C)c1nc2nc(C3CCOC(c4cnn(C5CC5)c4)C3)nc(Oc3ccccc3)c2s1.
What is the InChIKey of 5-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The InChIKey is IVFBAMNUYXWPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S/c1-29(2)24-28-22-20(33-24)23(32-18-6-4-3-5-7-18)27-21(26-22)15-10-11-31-19(12-15)16-13-25-30(14-16)17-8-9-17/h3-7,13-15,17,19H,8-12H2,1-2H3.
What are the key properties of 5-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
5-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine has a molecular weight of 462.58 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is sourced from PubChem (CID 168887865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).