[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone

C12H13N5OS — CID 167823649

IUPAC[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone
SMILESCc1csc(C(=O)N2CC(c3ccnc(N)n3)C2)n1
InChIInChI=1S/C12H13N5OS/c1-7-6-19-10(15-7)11(18)17-4-8(5-17)9-2-3-14-12(13)16-9/h2-3,6,8H,4-5H2,1H3,(H2,13,14,16)
InChIKeyXVNSOHAUEUVINO-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.06
Rot. Bonds2

About [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone

[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone (PubChem CID 167823649) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone
PubChem CID167823649
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone
SMILESCc1csc(C(=O)N2CC(c3ccnc(N)n3)C2)n1
InChIInChI=1S/C12H13N5OS/c1-7-6-19-10(15-7)11(18)17-4-8(5-17)9-2-3-14-12(13)16-9/h2-3,6,8H,4-5H2,1H3,(H2,13,14,16)
InChIKeyXVNSOHAUEUVINO-UHFFFAOYSA-N
XLogP1.06
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone?
The IUPAC name of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone (CID 167823649) is [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone is Cc1csc(C(=O)N2CC(c3ccnc(N)n3)C2)n1.
What is the InChIKey of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone?
The InChIKey is XVNSOHAUEUVINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-7-6-19-10(15-7)11(18)17-4-8(5-17)9-2-3-14-12(13)16-9/h2-3,6,8H,4-5H2,1H3,(H2,13,14,16).
What are the key properties of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone?
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone has a molecular weight of 275.34 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 167823649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).