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

C13H18ClN3S — CID 114268212

IUPAC2-chloro-4-(4-ethylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine
SMILESCCC1CCN(c2nc(Cl)nc3c2SCC3)CC1
InChIInChI=1S/C13H18ClN3S/c1-2-9-3-6-17(7-4-9)12-11-10(5-8-18-11)15-13(14)16-12/h9H,2-8H2,1H3
InChIKeyBMAJABYMSLZPPQ-UHFFFAOYSA-N
MW283.83 g/mol
LogP3.40
Rot. Bonds2

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

2-chloro-4-(4-ethylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine (PubChem CID 114268212) has the molecular formula C13H18ClN3S and a molecular weight of 283.83 g/mol. Its IUPAC name is 2-chloro-4-(4-ethylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4-ethylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine
PubChem CID114268212
Molecular FormulaC13H18ClN3S
Molecular Weight283.83 g/mol
Exact Mass283.09
IUPAC Name2-chloro-4-(4-ethylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine
SMILESCCC1CCN(c2nc(Cl)nc3c2SCC3)CC1
InChIInChI=1S/C13H18ClN3S/c1-2-9-3-6-17(7-4-9)12-11-10(5-8-18-11)15-13(14)16-12/h9H,2-8H2,1H3
InChIKeyBMAJABYMSLZPPQ-UHFFFAOYSA-N
XLogP3.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.83
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(4-propylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine
CID 114268258
4-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)piperazine-1-carboxylic acid
CID 151274683
2-chloro-N-cycloheptyl-N-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 114268199
4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80796310
N-[1-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)ethyl]-N-propan-2-ylpropan-2-amine
CID 150771786
4-chloro-6-(4-ethylpiperidin-1-yl)-5-methyl-2-propan-2-ylpyrimidine
CID 80970665
2-chloro-N-cyclobutyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 130505615
[3,5-dichloro-6-(4-ethylpiperidin-1-yl)-2-pyridinyl]hydrazine
CID 102761732
1-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-amine
CID 95928585
2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-amine
CID 114043962
3-[4-[[4-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1-sulfanyl-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 176674380
2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 114268235

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-ethylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-4-(4-ethylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine (CID 114268212) is 2-chloro-4-(4-ethylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(4-ethylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(4-ethylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine is CCC1CCN(c2nc(Cl)nc3c2SCC3)CC1.
What is the InChIKey of 2-chloro-4-(4-ethylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine?
The InChIKey is BMAJABYMSLZPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3S/c1-2-9-3-6-17(7-4-9)12-11-10(5-8-18-11)15-13(14)16-12/h9H,2-8H2,1H3.
What are the key properties of 2-chloro-4-(4-ethylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine?
2-chloro-4-(4-ethylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine has a molecular weight of 283.83 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-ethylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine is sourced from PubChem (CID 114268212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).