3-[2-(methoxymethyl)-6-[3-(1,3-thiazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine

C16H21N5OS — CID 91768169

IUPAC3-[2-(methoxymethyl)-6-[3-(1,3-thiazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
SMILESCOCc1nc(C2CC(N)C2)cc(N2CC(c3nccs3)C2)n1
InChIInChI=1S/C16H21N5OS/c1-22-9-14-19-13(10-4-12(17)5-10)6-15(20-14)21-7-11(8-21)16-18-2-3-23-16/h2-3,6,10-12H,4-5,7-9,17H2,1H3
InChIKeyPFTHTJYBVUMZEB-UHFFFAOYSA-N
MW331.45 g/mol
LogP1.89
Rot. Bonds5

About 3-[2-(methoxymethyl)-6-[3-(1,3-thiazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine

3-[2-(methoxymethyl)-6-[3-(1,3-thiazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine (PubChem CID 91768169) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)-6-[3-(1,3-thiazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[2-(methoxymethyl)-6-[3-(1,3-thiazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
PubChem CID91768169
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name3-[2-(methoxymethyl)-6-[3-(1,3-thiazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
SMILESCOCc1nc(C2CC(N)C2)cc(N2CC(c3nccs3)C2)n1
InChIInChI=1S/C16H21N5OS/c1-22-9-14-19-13(10-4-12(17)5-10)6-15(20-14)21-7-11(8-21)16-18-2-3-23-16/h2-3,6,10-12H,4-5,7-9,17H2,1H3
InChIKeyPFTHTJYBVUMZEB-UHFFFAOYSA-N
XLogP1.89
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)-6-[3-(1,3-thiazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
The IUPAC name of 3-[2-(methoxymethyl)-6-[3-(1,3-thiazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine (CID 91768169) is 3-[2-(methoxymethyl)-6-[3-(1,3-thiazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[2-(methoxymethyl)-6-[3-(1,3-thiazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[2-(methoxymethyl)-6-[3-(1,3-thiazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine is COCc1nc(C2CC(N)C2)cc(N2CC(c3nccs3)C2)n1.
What is the InChIKey of 3-[2-(methoxymethyl)-6-[3-(1,3-thiazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
The InChIKey is PFTHTJYBVUMZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-22-9-14-19-13(10-4-12(17)5-10)6-15(20-14)21-7-11(8-21)16-18-2-3-23-16/h2-3,6,10-12H,4-5,7-9,17H2,1H3.
What are the key properties of 3-[2-(methoxymethyl)-6-[3-(1,3-thiazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine?
3-[2-(methoxymethyl)-6-[3-(1,3-thiazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine has a molecular weight of 331.45 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)-6-[3-(1,3-thiazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine is sourced from PubChem (CID 91768169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).