3-[2-methyl-6-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

C17H24N4OS — CID 91795483

IUPAC3-[2-methyl-6-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(NCCc2csc(C(C)C)n2)cc(C2CC(O)C2)n1
InChIInChI=1S/C17H24N4OS/c1-10(2)17-21-13(9-23-17)4-5-18-16-8-15(19-11(3)20-16)12-6-14(22)7-12/h8-10,12,14,22H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyRUSGICBLEXAECI-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.26
Rot. Bonds6

About 3-[2-methyl-6-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-methyl-6-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91795483) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 3-[2-methyl-6-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-methyl-6-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91795483
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name3-[2-methyl-6-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(NCCc2csc(C(C)C)n2)cc(C2CC(O)C2)n1
InChIInChI=1S/C17H24N4OS/c1-10(2)17-21-13(9-23-17)4-5-18-16-8-15(19-11(3)20-16)12-6-14(22)7-12/h8-10,12,14,22H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyRUSGICBLEXAECI-UHFFFAOYSA-N
XLogP3.26
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-methyl-6-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91795483) is 3-[2-methyl-6-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-methyl-6-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-methyl-6-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(NCCc2csc(C(C)C)n2)cc(C2CC(O)C2)n1.
What is the InChIKey of 3-[2-methyl-6-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is RUSGICBLEXAECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-10(2)17-21-13(9-23-17)4-5-18-16-8-15(19-11(3)20-16)12-6-14(22)7-12/h8-10,12,14,22H,4-7H2,1-3H3,(H,18,19,20).
What are the key properties of 3-[2-methyl-6-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-methyl-6-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 332.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91795483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).