4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine

C17H19N5OS — CID 165435681

IUPAC4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1nccnc1OCC1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C17H19N5OS/c1-12-16(19-6-5-18-12)23-10-13-2-7-22(8-3-13)15-14-4-9-24-17(14)21-11-20-15/h4-6,9,11,13H,2-3,7-8,10H2,1H3
InChIKeyAKQSZZBIIQPOJQ-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.09
Rot. Bonds4

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

4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 165435681) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID165435681
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1nccnc1OCC1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C17H19N5OS/c1-12-16(19-6-5-18-12)23-10-13-2-7-22(8-3-13)15-14-4-9-24-17(14)21-11-20-15/h4-6,9,11,13H,2-3,7-8,10H2,1H3
InChIKeyAKQSZZBIIQPOJQ-UHFFFAOYSA-N
XLogP3.09
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 154583426
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
4-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 50909782
N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide
CID 163346392
4-[3-(bromomethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 80679387
2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol
CID 39817579
4-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidine
CID 126873131
4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 56822117
4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)thieno[2,3-d]pyrimidine
CID 157019262
5-bromo-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-2-methylsulfanylpyrimidine
CID 165435366
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 2098585

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine (CID 165435681) is 4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine is Cc1nccnc1OCC1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of 4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is AKQSZZBIIQPOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-12-16(19-6-5-18-12)23-10-13-2-7-22(8-3-13)15-14-4-9-24-17(14)21-11-20-15/h4-6,9,11,13H,2-3,7-8,10H2,1H3.
What are the key properties of 4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine?
4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 341.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 165435681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).