4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine

C10H10ClN3S — CID 130547955

IUPAC4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCC3)nc(Cl)nc2s1
InChIInChI=1S/C10H10ClN3S/c1-6-5-7-8(14-3-2-4-14)12-10(11)13-9(7)15-6/h5H,2-4H2,1H3
InChIKeyCMDSOJPAYIFANS-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.86
Rot. Bonds1

About 4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine

4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine (PubChem CID 130547955) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine
PubChem CID130547955
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCC3)nc(Cl)nc2s1
InChIInChI=1S/C10H10ClN3S/c1-6-5-7-8(14-3-2-4-14)12-10(11)13-9(7)15-6/h5H,2-4H2,1H3
InChIKeyCMDSOJPAYIFANS-UHFFFAOYSA-N
XLogP2.86
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103321928
2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103322044
1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 103321991
2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103321138
2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 50946840
2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
CID 103321977
2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103321606
4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine
CID 103320672
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
2-chloro-6-methyl-4-(2-propylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 103322314
4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103323872
2-chloro-4-(2,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103322626

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine (CID 130547955) is 4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine is Cc1cc2c(N3CCC3)nc(Cl)nc2s1.
What is the InChIKey of 4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is CMDSOJPAYIFANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c1-6-5-7-8(14-3-2-4-14)12-10(11)13-9(7)15-6/h5H,2-4H2,1H3.
What are the key properties of 4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine?
4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 239.73 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 130547955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).