4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine

C16H17N5OS — CID 154583426

IUPAC4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESc1cnc(OCC2CCN(c3ncnc4sccc34)CC2)cn1
InChIInChI=1S/C16H17N5OS/c1-6-21(15-13-3-8-23-16(13)20-11-19-15)7-2-12(1)10-22-14-9-17-4-5-18-14/h3-5,8-9,11-12H,1-2,6-7,10H2
InChIKeyVGQYJOOIUKEORI-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.78
Rot. Bonds4

About 4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine

4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 154583426) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID154583426
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESc1cnc(OCC2CCN(c3ncnc4sccc34)CC2)cn1
InChIInChI=1S/C16H17N5OS/c1-6-21(15-13-3-8-23-16(13)20-11-19-15)7-2-12(1)10-22-14-9-17-4-5-18-14/h3-5,8-9,11-12H,1-2,6-7,10H2
InChIKeyVGQYJOOIUKEORI-UHFFFAOYSA-N
XLogP2.78
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 165435681
7-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidine
CID 154575875
6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline
CID 154575992
4-[4-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 71572353
4-[3-(chloromethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390055
1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine
CID 154581188
4-[3-(bromomethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 80679387
4-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 50909782
1-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)imidazolidin-2-one
CID 56815569
4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 56822117
5-fluoro-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 154575549
N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126887234

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine (CID 154583426) is 4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine is c1cnc(OCC2CCN(c3ncnc4sccc34)CC2)cn1.
What is the InChIKey of 4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is VGQYJOOIUKEORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-6-21(15-13-3-8-23-16(13)20-11-19-15)7-2-12(1)10-22-14-9-17-4-5-18-14/h3-5,8-9,11-12H,1-2,6-7,10H2.
What are the key properties of 4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 327.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 154583426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).