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

C15H20ClN3S — CID 103321928

IUPAC2-chloro-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCCC(C)(C)CC3)nc(Cl)nc2s1
InChIInChI=1S/C15H20ClN3S/c1-10-9-11-12(17-14(16)18-13(11)20-10)19-7-4-5-15(2,3)6-8-19/h9H,4-8H2,1-3H3
InChIKeyNCXCBPQJLAEIPC-UHFFFAOYSA-N
MW309.87 g/mol
LogP4.67
Rot. Bonds1

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

2-chloro-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine (PubChem CID 103321928) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is 2-chloro-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine
PubChem CID103321928
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name2-chloro-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCCC(C)(C)CC3)nc(Cl)nc2s1
InChIInChI=1S/C15H20ClN3S/c1-10-9-11-12(17-14(16)18-13(11)20-10)19-7-4-5-15(2,3)6-8-19/h9H,4-8H2,1-3H3
InChIKeyNCXCBPQJLAEIPC-UHFFFAOYSA-N
XLogP4.67
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 54.67
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-(4,4-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327461
1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 103321991
1-(2,5-dichloropyrimidin-4-yl)-4,4-dimethylazepane
CID 79633042
2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103322044
2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103321138
2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
CID 103321977
1-(5-bromo-2-chloropyrimidin-4-yl)-4,4-dimethylazepane
CID 79072527
4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine
CID 103320672
2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 50946840
2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103321606
2-chloro-N-(4,4-dimethylcyclohexyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321828

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine (CID 103321928) is 2-chloro-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine is Cc1cc2c(N3CCCC(C)(C)CC3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is NCXCBPQJLAEIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-10-9-11-12(17-14(16)18-13(11)20-10)19-7-4-5-15(2,3)6-8-19/h9H,4-8H2,1-3H3.
What are the key properties of 2-chloro-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine?
2-chloro-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 309.87 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 103321928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).