1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine

C14H19ClN4S — CID 103321991

IUPAC1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
SMILESCc1cc2c(N3CCCC(N(C)C)C3)nc(Cl)nc2s1
InChIInChI=1S/C14H19ClN4S/c1-9-7-11-12(16-14(15)17-13(11)20-9)19-6-4-5-10(8-19)18(2)3/h7,10H,4-6,8H2,1-3H3
InChIKeyAHQQFTMXDONJTL-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.18
Rot. Bonds2

About 1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine

1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine (PubChem CID 103321991) has the molecular formula C14H19ClN4S and a molecular weight of 310.85 g/mol. Its IUPAC name is 1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
PubChem CID103321991
Molecular FormulaC14H19ClN4S
Molecular Weight310.85 g/mol
Exact Mass310.10
IUPAC Name1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
SMILESCc1cc2c(N3CCCC(N(C)C)C3)nc(Cl)nc2s1
InChIInChI=1S/C14H19ClN4S/c1-9-7-11-12(16-14(15)17-13(11)20-9)19-6-4-5-10(8-19)18(2)3/h7,10H,4-6,8H2,1-3H3
InChIKeyAHQQFTMXDONJTL-UHFFFAOYSA-N
XLogP3.18
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 130547955
1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 103321619
2-chloro-4-(3-ethoxypiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103321138
2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103322044
2-chloro-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103321928
2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
CID 103321977
4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-ethylmorpholine
CID 103320672
1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
CID 114562722
5-chloro-4-[3-(dimethylamino)piperidin-1-yl]-N-methylpyrimidin-2-amine
CID 80856626
4-[3-(diethylamino)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327595
2-chloro-4-(2,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103322626
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 1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine (CID 103321991) is 1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine is Cc1cc2c(N3CCCC(N(C)C)C3)nc(Cl)nc2s1.
What is the InChIKey of 1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine?
The InChIKey is AHQQFTMXDONJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4S/c1-9-7-11-12(16-14(15)17-13(11)20-9)19-6-4-5-10(8-19)18(2)3/h7,10H,4-6,8H2,1-3H3.
What are the key properties of 1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine?
1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine has a molecular weight of 310.85 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 103321991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).