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

C17H18N6OS — CID 91787245

IUPAC3-[2-methyl-6-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(NCc2csc(-c3cnccn3)n2)cc(C2CC(O)C2)n1
InChIInChI=1S/C17H18N6OS/c1-10-21-14(11-4-13(24)5-11)6-16(22-10)20-7-12-9-25-17(23-12)15-8-18-2-3-19-15/h2-3,6,8-9,11,13,24H,4-5,7H2,1H3,(H,20,21,22)
InChIKeyDLTBRMYKAZMBKW-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.55
Rot. Bonds5

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

3-[2-methyl-6-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91787245) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is 3-[2-methyl-6-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-methyl-6-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91787245
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name3-[2-methyl-6-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(NCc2csc(-c3cnccn3)n2)cc(C2CC(O)C2)n1
InChIInChI=1S/C17H18N6OS/c1-10-21-14(11-4-13(24)5-11)6-16(22-10)20-7-12-9-25-17(23-12)15-8-18-2-3-19-15/h2-3,6,8-9,11,13,24H,4-5,7H2,1H3,(H,20,21,22)
InChIKeyDLTBRMYKAZMBKW-UHFFFAOYSA-N
XLogP2.55
TPSA96.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-methyl-6-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91787245) is 3-[2-methyl-6-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-methyl-6-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-methyl-6-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(NCc2csc(-c3cnccn3)n2)cc(C2CC(O)C2)n1.
What is the InChIKey of 3-[2-methyl-6-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is DLTBRMYKAZMBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-10-21-14(11-4-13(24)5-11)6-16(22-10)20-7-12-9-25-17(23-12)15-8-18-2-3-19-15/h2-3,6,8-9,11,13,24H,4-5,7H2,1H3,(H,20,21,22).
What are the key properties of 3-[2-methyl-6-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-methyl-6-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 354.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91787245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).