N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine

C12H17ClN4S — CID 103321513

IUPACN-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C12H17ClN4S/c1-4-17(3)6-5-14-10-9-7-8(2)18-11(9)16-12(13)15-10/h7H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyVTBBXZSNYLJFQK-UHFFFAOYSA-N
MW284.82 g/mol
LogP3.02
Rot. Bonds5

About N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine

N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine (PubChem CID 103321513) has the molecular formula C12H17ClN4S and a molecular weight of 284.82 g/mol. Its IUPAC name is N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
PubChem CID103321513
Molecular FormulaC12H17ClN4S
Molecular Weight284.82 g/mol
Exact Mass284.09
IUPAC NameN-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C12H17ClN4S/c1-4-17(3)6-5-14-10-9-7-8(2)18-11(9)16-12(13)15-10/h7H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyVTBBXZSNYLJFQK-UHFFFAOYSA-N
XLogP3.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.82
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine with MolForge

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Related Compounds

5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 82066304
2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 114188160
2-chloro-6-methyl-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320757
2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106106124
2-chloro-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321679
2-chloro-N-(2-chloroprop-2-enyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106195492
2-chloro-6-methyl-N-[2-(3-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321462
2-[3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propoxy]ethanol
CID 114171977
2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320512
2-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106196384
2-chloro-N-(3-ethylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321900
2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322476

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine (CID 103321513) is N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine is CCN(C)CCNc1nc(Cl)nc2sc(C)cc12.
What is the InChIKey of N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is VTBBXZSNYLJFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4S/c1-4-17(3)6-5-14-10-9-7-8(2)18-11(9)16-12(13)15-10/h7H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine?
N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 284.82 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 103321513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).