2-(piperidin-4-ylmethyl)thieno[3,2-d]pyrimidine

C12H15N3S — CID 141198481

IUPAC2-(piperidin-4-ylmethyl)thieno[3,2-d]pyrimidine
SMILESc1cc2nc(CC3CCNCC3)ncc2s1
InChIInChI=1S/C12H15N3S/c1-4-13-5-2-9(1)7-12-14-8-11-10(15-12)3-6-16-11/h3,6,8-9,13H,1-2,4-5,7H2
InChIKeyGQHHVFGQTVIJJB-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.23
Rot. Bonds2

About 2-(piperidin-4-ylmethyl)thieno[3,2-d]pyrimidine

2-(piperidin-4-ylmethyl)thieno[3,2-d]pyrimidine (PubChem CID 141198481) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethyl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(piperidin-4-ylmethyl)thieno[3,2-d]pyrimidine
PubChem CID141198481
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-(piperidin-4-ylmethyl)thieno[3,2-d]pyrimidine
SMILESc1cc2nc(CC3CCNCC3)ncc2s1
InChIInChI=1S/C12H15N3S/c1-4-13-5-2-9(1)7-12-14-8-11-10(15-12)3-6-16-11/h3,6,8-9,13H,1-2,4-5,7H2
InChIKeyGQHHVFGQTVIJJB-UHFFFAOYSA-N
XLogP2.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,3S)-3-(thieno[3,2-d]pyrimidin-2-ylmethyl)cyclopentan-1-amine
CID 159313291
thieno[3,2-d]pyrimidin-2-ylmethanamine
CID 82414555
6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline
CID 105489460
4-[(4-ethylpyrimidin-2-yl)methyl]azepane
CID 84685078
2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine
CID 116898986
2-(piperidin-4-ylmethyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
CID 105493340
3-(piperidin-4-ylmethyl)quinoline;dihydrochloride
CID 53407804
2-fluorothieno[3,2-d]pyrimidine
CID 155821803
2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde
CID 115090212
[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 115090240
[(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol
CID 90958967
4-[5-(4-methylphenyl)-2-(piperidin-4-ylmethyl)pyrimidin-4-yl]benzonitrile
CID 147805770

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethyl)thieno[3,2-d]pyrimidine?
The IUPAC name of 2-(piperidin-4-ylmethyl)thieno[3,2-d]pyrimidine (CID 141198481) is 2-(piperidin-4-ylmethyl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-(piperidin-4-ylmethyl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 2-(piperidin-4-ylmethyl)thieno[3,2-d]pyrimidine is c1cc2nc(CC3CCNCC3)ncc2s1.
What is the InChIKey of 2-(piperidin-4-ylmethyl)thieno[3,2-d]pyrimidine?
The InChIKey is GQHHVFGQTVIJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-4-13-5-2-9(1)7-12-14-8-11-10(15-12)3-6-16-11/h3,6,8-9,13H,1-2,4-5,7H2.
What are the key properties of 2-(piperidin-4-ylmethyl)thieno[3,2-d]pyrimidine?
2-(piperidin-4-ylmethyl)thieno[3,2-d]pyrimidine has a molecular weight of 233.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethyl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 141198481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).