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

C13H16ClN3S — CID 103322044

IUPAC2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CC(C)C(C)C3)nc(Cl)nc2s1
InChIInChI=1S/C13H16ClN3S/c1-7-5-17(6-8(7)2)11-10-4-9(3)18-12(10)16-13(14)15-11/h4,7-8H,5-6H2,1-3H3
InChIKeyRJFKOGFOROOYID-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.75
Rot. Bonds1

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

2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine (PubChem CID 103322044) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
PubChem CID103322044
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CC(C)C(C)C3)nc(Cl)nc2s1
InChIInChI=1S/C13H16ClN3S/c1-7-5-17(6-8(7)2)11-10-4-9(3)18-12(10)16-13(14)15-11/h4,7-8H,5-6H2,1-3H3
InChIKeyRJFKOGFOROOYID-UHFFFAOYSA-N
XLogP3.75
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 130547955
4-(3,4-dimethylpyrrolidin-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103328825
2-chloro-4-(2,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103322626
1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 103321991
4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine
CID 103320672
2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103321138
2-chloro-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103321928
[4-(3,4-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103335803
(2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine
CID 93213873
2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103321606
2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
CID 103321977
2-chloro-6-methyl-4-(2-propylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 103322314

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine (CID 103322044) is 2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine is Cc1cc2c(N3CC(C)C(C)C3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is RJFKOGFOROOYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-7-5-17(6-8(7)2)11-10-4-9(3)18-12(10)16-13(14)15-11/h4,7-8H,5-6H2,1-3H3.
What are the key properties of 2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine?
2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 281.81 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 103322044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).