2-[1-[1-(5-methylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]triazol-4-yl]propan-2-ol

C15H18N6OS — CID 138045150

IUPAC2-[1-[1-(5-methylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]triazol-4-yl]propan-2-ol
SMILESCc1csc2ncnc(N3CC(n4cc(C(C)(C)O)nn4)C3)c12
InChIInChI=1S/C15H18N6OS/c1-9-7-23-14-12(9)13(16-8-17-14)20-4-10(5-20)21-6-11(18-19-21)15(2,3)22/h6-8,10,22H,4-5H2,1-3H3
InChIKeyVFRDHICQAWOFGI-UHFFFAOYSA-N
MW330.42 g/mol
LogP1.88
Rot. Bonds3

About 2-[1-[1-(5-methylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]triazol-4-yl]propan-2-ol

2-[1-[1-(5-methylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]triazol-4-yl]propan-2-ol (PubChem CID 138045150) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is 2-[1-[1-(5-methylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[1-(5-methylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]triazol-4-yl]propan-2-ol
PubChem CID138045150
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Name2-[1-[1-(5-methylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]triazol-4-yl]propan-2-ol
SMILESCc1csc2ncnc(N3CC(n4cc(C(C)(C)O)nn4)C3)c12
InChIInChI=1S/C15H18N6OS/c1-9-7-23-14-12(9)13(16-8-17-14)20-4-10(5-20)21-6-11(18-19-21)15(2,3)22/h6-8,10,22H,4-5H2,1-3H3
InChIKeyVFRDHICQAWOFGI-UHFFFAOYSA-N
XLogP1.88
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-[1-(7H-purin-6-yl)piperidin-4-yl]triazol-4-yl]propan-2-ol
CID 46998330
1-[[(3S)-1-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95208639
5,6-dimethyl-3-[4-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pyridazine-4-carboxamide
CID 136547764
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine
CID 140546700
[(3R,8aS)-2-(5-methylthieno[2,3-d]pyrimidin-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-3-yl]methanol
CID 139021980
5-methyl-4-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 128732364
5-methyl-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 59232490
[(3R)-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 94381226
2-[1-[1-[(3-methoxyphenyl)methyl]azetidin-3-yl]triazol-4-yl]propan-2-ol
CID 75474492
2-[1-[1-[1-(3-methylphenyl)piperidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-2-ol
CID 29254785
2-[1-[(3aS,5R,6R,7aR)-6-(cyclopropylmethoxy)-2-(3-methylpyrazin-2-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]triazol-4-yl]propan-2-ol
CID 176503276
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-ol
CID 102687027

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(5-methylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[1-(5-methylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]triazol-4-yl]propan-2-ol (CID 138045150) is 2-[1-[1-(5-methylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[1-(5-methylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[1-(5-methylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]triazol-4-yl]propan-2-ol is Cc1csc2ncnc(N3CC(n4cc(C(C)(C)O)nn4)C3)c12.
What is the InChIKey of 2-[1-[1-(5-methylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]triazol-4-yl]propan-2-ol?
The InChIKey is VFRDHICQAWOFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-9-7-23-14-12(9)13(16-8-17-14)20-4-10(5-20)21-6-11(18-19-21)15(2,3)22/h6-8,10,22H,4-5H2,1-3H3.
What are the key properties of 2-[1-[1-(5-methylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]triazol-4-yl]propan-2-ol?
2-[1-[1-(5-methylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]triazol-4-yl]propan-2-ol has a molecular weight of 330.42 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(5-methylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 138045150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).