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

C14H18N4OS — CID 91781426

IUPAC3-[2-methyl-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(C2CC(O)C2)cc(N(C)Cc2nccs2)n1
InChIInChI=1S/C14H18N4OS/c1-9-16-12(10-5-11(19)6-10)7-13(17-9)18(2)8-14-15-3-4-20-14/h3-4,7,10-11,19H,5-6,8H2,1-2H3
InChIKeyGDYUJMTVSCPXMO-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.12
Rot. Bonds4

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

3-[2-methyl-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91781426) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-[2-methyl-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-methyl-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91781426
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name3-[2-methyl-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(C2CC(O)C2)cc(N(C)Cc2nccs2)n1
InChIInChI=1S/C14H18N4OS/c1-9-16-12(10-5-11(19)6-10)7-13(17-9)18(2)8-14-15-3-4-20-14/h3-4,7,10-11,19H,5-6,8H2,1-2H3
InChIKeyGDYUJMTVSCPXMO-UHFFFAOYSA-N
XLogP2.12
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-methyl-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91781426) is 3-[2-methyl-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-methyl-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-methyl-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(C2CC(O)C2)cc(N(C)Cc2nccs2)n1.
What is the InChIKey of 3-[2-methyl-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is GDYUJMTVSCPXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-16-12(10-5-11(19)6-10)7-13(17-9)18(2)8-14-15-3-4-20-14/h3-4,7,10-11,19H,5-6,8H2,1-2H3.
What are the key properties of 3-[2-methyl-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-methyl-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 290.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91781426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).