4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride

C14H20ClN3S — CID 2837431

IUPAC4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
SMILESCCc1cc2c(N3CCCCCC3)ncnc2s1.Cl
InChIInChI=1S/C14H19N3S.ClH/c1-2-11-9-12-13(15-10-16-14(12)18-11)17-7-5-3-4-6-8-17;/h9-10H,2-8H2,1H3;1H
InChIKeyZLOWJEAQFANNFA-UHFFFAOYSA-N
MW297.86 g/mol
LogP4.06
Rot. Bonds2

About 4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride

4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride (PubChem CID 2837431) has the molecular formula C14H20ClN3S and a molecular weight of 297.86 g/mol. Its IUPAC name is 4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
PubChem CID2837431
Molecular FormulaC14H20ClN3S
Molecular Weight297.86 g/mol
Exact Mass297.11
IUPAC Name4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
SMILESCCc1cc2c(N3CCCCCC3)ncnc2s1.Cl
InChIInChI=1S/C14H19N3S.ClH/c1-2-11-9-12-13(15-10-16-14(12)18-11)17-7-5-3-4-6-8-17;/h9-10H,2-8H2,1H3;1H
InChIKeyZLOWJEAQFANNFA-UHFFFAOYSA-N
XLogP4.06
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.86
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
6-ethyl-4-(4-methylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 21062788
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 171328039
6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 962678
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46362845
N-cyclopentyl-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362791
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine
CID 46362719
6-ethyl-2-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 6458221
(2S)-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-2-methylmorpholine
CID 31540398
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 47184707

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride?
The IUPAC name of 4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride (CID 2837431) is 4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride.
What is the SMILES notation for 4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride?
The canonical SMILES for 4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride is CCc1cc2c(N3CCCCCC3)ncnc2s1.Cl.
What is the InChIKey of 4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride?
The InChIKey is ZLOWJEAQFANNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S.ClH/c1-2-11-9-12-13(15-10-16-14(12)18-11)17-7-5-3-4-6-8-17;/h9-10H,2-8H2,1H3;1H.
What are the key properties of 4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride?
4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride has a molecular weight of 297.86 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride is sourced from PubChem (CID 2837431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).