2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol

C20H28F3N5OS — CID 143945356

IUPAC2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol
SMILESCc1nc(-c2c(C)nc(NCC(F)(F)F)nc2NC2CCC(C(C)(C)O)C2)sc1C
InChIInChI=1S/C20H28F3N5OS/c1-10-12(3)30-17(25-10)15-11(2)26-18(24-9-20(21,22)23)28-16(15)27-14-7-6-13(8-14)19(4,5)29/h13-14,29H,6-9H2,1-5H3,(H2,24,26,27,28)
InChIKeyRPYBQYKZLBZBCD-UHFFFAOYSA-N
MW443.54 g/mol
LogP4.85
Rot. Bonds6

About 2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol

2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol (PubChem CID 143945356) has the molecular formula C20H28F3N5OS and a molecular weight of 443.54 g/mol. Its IUPAC name is 2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol
PubChem CID143945356
Molecular FormulaC20H28F3N5OS
Molecular Weight443.54 g/mol
Exact Mass443.20
IUPAC Name2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol
SMILESCc1nc(-c2c(C)nc(NCC(F)(F)F)nc2NC2CCC(C(C)(C)O)C2)sc1C
InChIInChI=1S/C20H28F3N5OS/c1-10-12(3)30-17(25-10)15-11(2)26-18(24-9-20(21,22)23)28-16(15)27-14-7-6-13(8-14)19(4,5)29/h13-14,29H,6-9H2,1-5H3,(H2,24,26,27,28)
InChIKeyRPYBQYKZLBZBCD-UHFFFAOYSA-N
XLogP4.85
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol?
The IUPAC name of 2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol (CID 143945356) is 2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol.
What is the SMILES notation for 2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol?
The canonical SMILES for 2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol is Cc1nc(-c2c(C)nc(NCC(F)(F)F)nc2NC2CCC(C(C)(C)O)C2)sc1C.
What is the InChIKey of 2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol?
The InChIKey is RPYBQYKZLBZBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N5OS/c1-10-12(3)30-17(25-10)15-11(2)26-18(24-9-20(21,22)23)28-16(15)27-14-7-6-13(8-14)19(4,5)29/h13-14,29H,6-9H2,1-5H3,(H2,24,26,27,28).
What are the key properties of 2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol?
2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol has a molecular weight of 443.54 g/mol, XLogP of 4.85, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]propan-2-ol is sourced from PubChem (CID 143945356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).