2-chloro-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C12H13ClN6S — CID 103321679

IUPAC2-chloro-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCc3nncn3C)nc(Cl)nc2s1
InChIInChI=1S/C12H13ClN6S/c1-7-5-8-10(16-12(13)17-11(8)20-7)14-4-3-9-18-15-6-19(9)2/h5-6H,3-4H2,1-2H3,(H,14,16,17)
InChIKeyVXHAVEJNPXRIDP-UHFFFAOYSA-N
MW308.80 g/mol
LogP2.44
Rot. Bonds4

About 2-chloro-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

2-chloro-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103321679) has the molecular formula C12H13ClN6S and a molecular weight of 308.80 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID103321679
Molecular FormulaC12H13ClN6S
Molecular Weight308.80 g/mol
Exact Mass308.06
IUPAC Name2-chloro-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCc3nncn3C)nc(Cl)nc2s1
InChIInChI=1S/C12H13ClN6S/c1-7-5-8-10(16-12(13)17-11(8)20-7)14-4-3-9-18-15-6-19(9)2/h5-6H,3-4H2,1-2H3,(H,14,16,17)
InChIKeyVXHAVEJNPXRIDP-UHFFFAOYSA-N
XLogP2.44
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.80
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106106124
N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103321513
2-chloro-6-methyl-N-[2-(3-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321462
2-chloro-6-methyl-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320512
2-chloro-6-methyl-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320757
5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 82066304
2-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106196384
2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322476
2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 114188160
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-7H-purin-6-amine
CID 104697689
5-chloro-2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 80758192
2-chloro-N-(2-chloroprop-2-enyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106195492

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 103321679) is 2-chloro-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCCc3nncn3C)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VXHAVEJNPXRIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN6S/c1-7-5-8-10(16-12(13)17-11(8)20-7)14-4-3-9-18-15-6-19(9)2/h5-6H,3-4H2,1-2H3,(H,14,16,17).
What are the key properties of 2-chloro-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 308.80 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103321679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).