2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine

C13H12ClN3S2 — CID 103320512

IUPAC2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCc3cccs3)nc(Cl)nc2s1
InChIInChI=1S/C13H12ClN3S2/c1-8-7-10-11(16-13(14)17-12(10)19-8)15-5-4-9-3-2-6-18-9/h2-3,6-7H,4-5H2,1H3,(H,15,16,17)
InChIKeyBUGGFAFPIMAPFL-UHFFFAOYSA-N
MW309.85 g/mol
LogP4.37
Rot. Bonds4

About 2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320512) has the molecular formula C13H12ClN3S2 and a molecular weight of 309.85 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103320512
Molecular FormulaC13H12ClN3S2
Molecular Weight309.85 g/mol
Exact Mass309.02
IUPAC Name2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCc3cccs3)nc(Cl)nc2s1
InChIInChI=1S/C13H12ClN3S2/c1-8-7-10-11(16-13(14)17-12(10)19-8)15-5-4-9-3-2-6-18-9/h2-3,6-7H,4-5H2,1H3,(H,15,16,17)
InChIKeyBUGGFAFPIMAPFL-UHFFFAOYSA-N
XLogP4.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324377
2-chloro-6-methyl-N-[2-(3-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321462
2-chloro-6-methyl-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320757
2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 79075871
2-chloro-6-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 114043536
2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91965651
2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106106124
2-chloro-N-ethyl-6-methyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320885
5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 82066304
N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103321513
3,6-dichloro-N-(2-thiophen-2-ylethyl)-1,2,4-triazin-5-amine
CID 81036300
2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 114188160

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 103320512) is 2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCCc3cccs3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BUGGFAFPIMAPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S2/c1-8-7-10-11(16-13(14)17-12(10)19-8)15-5-4-9-3-2-6-18-9/h2-3,6-7H,4-5H2,1H3,(H,15,16,17).
What are the key properties of 2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 309.85 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).