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

C13H16N4OS — CID 91763119

IUPAC3-[6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(Cc1nccs1)c1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C13H16N4OS/c1-17(7-13-14-2-3-19-13)12-6-11(15-8-16-12)9-4-10(18)5-9/h2-3,6,8-10,18H,4-5,7H2,1H3
InChIKeyYHPBHQKJTOKLBT-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.81
Rot. Bonds4

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

3-[6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91763119) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-[6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91763119
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name3-[6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(Cc1nccs1)c1cc(C2CC(O)C2)ncn1
InChIInChI=1S/C13H16N4OS/c1-17(7-13-14-2-3-19-13)12-6-11(15-8-16-12)9-4-10(18)5-9/h2-3,6,8-10,18H,4-5,7H2,1H3
InChIKeyYHPBHQKJTOKLBT-UHFFFAOYSA-N
XLogP1.81
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91763119) is 3-[6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol is CN(Cc1nccs1)c1cc(C2CC(O)C2)ncn1.
What is the InChIKey of 3-[6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is YHPBHQKJTOKLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-17(7-13-14-2-3-19-13)12-6-11(15-8-16-12)9-4-10(18)5-9/h2-3,6,8-10,18H,4-5,7H2,1H3.
What are the key properties of 3-[6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 276.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91763119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).