2-chloro-4-(4-propylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine

C14H20ClN3S — CID 114268258

IUPAC2-chloro-4-(4-propylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine
SMILESCCCC1CCN(c2nc(Cl)nc3c2SCC3)CC1
InChIInChI=1S/C14H20ClN3S/c1-2-3-10-4-7-18(8-5-10)13-12-11(6-9-19-12)16-14(15)17-13/h10H,2-9H2,1H3
InChIKeyVKNXPJXPDLSSJJ-UHFFFAOYSA-N
MW297.86 g/mol
LogP3.79
Rot. Bonds3

About 2-chloro-4-(4-propylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine

2-chloro-4-(4-propylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine (PubChem CID 114268258) has the molecular formula C14H20ClN3S and a molecular weight of 297.86 g/mol. Its IUPAC name is 2-chloro-4-(4-propylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-propylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine
PubChem CID114268258
Molecular FormulaC14H20ClN3S
Molecular Weight297.86 g/mol
Exact Mass297.11
IUPAC Name2-chloro-4-(4-propylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine
SMILESCCCC1CCN(c2nc(Cl)nc3c2SCC3)CC1
InChIInChI=1S/C14H20ClN3S/c1-2-3-10-4-7-18(8-5-10)13-12-11(6-9-19-12)16-14(15)17-13/h10H,2-9H2,1H3
InChIKeyVKNXPJXPDLSSJJ-UHFFFAOYSA-N
XLogP3.79
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.86
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(4-ethylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine
CID 114268212
4-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylic acid
CID 151274683
2-chloro-4-(4-propylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62864514
2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-amine
CID 114043962
3-chloro-5-(4-propylpiperidin-1-yl)-1,2,4-triazine
CID 115000548
4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole
CID 83155979
3,5-dichloro-N-methyl-6-(4-propylpiperidin-1-yl)pyridin-2-amine
CID 102757811
4-propyl-1-(3,5,6-trichloro-2-pyridinyl)azepane
CID 102751213
N-[1-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)ethyl]-N-propan-2-ylpropan-2-amine
CID 150771786
3,5-dichloro-N-methyl-6-(4-propylazepan-1-yl)pyridin-2-amine
CID 102758516
5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 55049889
3-(4-propylpiperidin-1-yl)quinoxalin-2-amine
CID 102986310

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-propylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-4-(4-propylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine (CID 114268258) is 2-chloro-4-(4-propylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(4-propylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(4-propylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine is CCCC1CCN(c2nc(Cl)nc3c2SCC3)CC1.
What is the InChIKey of 2-chloro-4-(4-propylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine?
The InChIKey is VKNXPJXPDLSSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3S/c1-2-3-10-4-7-18(8-5-10)13-12-11(6-9-19-12)16-14(15)17-13/h10H,2-9H2,1H3.
What are the key properties of 2-chloro-4-(4-propylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine?
2-chloro-4-(4-propylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine has a molecular weight of 297.86 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-propylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine is sourced from PubChem (CID 114268258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).