3-[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

C15H20N4OS — CID 91761135

IUPAC3-[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(CCNc2cc(C3CC(O)C3)ncn2)sc1C
InChIInChI=1S/C15H20N4OS/c1-9-10(2)21-15(19-9)3-4-16-14-7-13(17-8-18-14)11-5-12(20)6-11/h7-8,11-12,20H,3-6H2,1-2H3,(H,16,17,18)
InChIKeySDHSLDFCKOGBDZ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.44
Rot. Bonds5

About 3-[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91761135) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91761135
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name3-[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(CCNc2cc(C3CC(O)C3)ncn2)sc1C
InChIInChI=1S/C15H20N4OS/c1-9-10(2)21-15(19-9)3-4-16-14-7-13(17-8-18-14)11-5-12(20)6-11/h7-8,11-12,20H,3-6H2,1-2H3,(H,16,17,18)
InChIKeySDHSLDFCKOGBDZ-UHFFFAOYSA-N
XLogP2.44
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91761135) is 3-[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(CCNc2cc(C3CC(O)C3)ncn2)sc1C.
What is the InChIKey of 3-[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is SDHSLDFCKOGBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9-10(2)21-15(19-9)3-4-16-14-7-13(17-8-18-14)11-5-12(20)6-11/h7-8,11-12,20H,3-6H2,1-2H3,(H,16,17,18).
What are the key properties of 3-[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 304.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91761135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).