4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine

C11H10ClN5S — CID 43146912

IUPAC4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine
SMILESCc1sc2nc(Cn3cncn3)nc(Cl)c2c1C
InChIInChI=1S/C11H10ClN5S/c1-6-7(2)18-11-9(6)10(12)15-8(16-11)3-17-5-13-4-14-17/h4-5H,3H2,1-2H3
InChIKeyJRWTVIXJELPEQV-UHFFFAOYSA-N
MW279.76 g/mol
LogP2.60
Rot. Bonds2

About 4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine

4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine (PubChem CID 43146912) has the molecular formula C11H10ClN5S and a molecular weight of 279.76 g/mol. Its IUPAC name is 4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine
PubChem CID43146912
Molecular FormulaC11H10ClN5S
Molecular Weight279.76 g/mol
Exact Mass279.03
IUPAC Name4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine
SMILESCc1sc2nc(Cn3cncn3)nc(Cl)c2c1C
InChIInChI=1S/C11H10ClN5S/c1-6-7(2)18-11-9(6)10(12)15-8(16-11)3-17-5-13-4-14-17/h4-5H,3H2,1-2H3
InChIKeyJRWTVIXJELPEQV-UHFFFAOYSA-N
XLogP2.60
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 62129002
4-chloro-5,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine
CID 104602712
4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146917
4-chloro-1-methyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[5,4-d]pyrimidine
CID 63220436
4-chloro-6-methyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
CID 80664132
4-chloro-2-(3,3-dimethylbutyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 114211085
4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine
CID 62800354
1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol
CID 61434696
4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-3,3-dimethylmorpholine
CID 61432869
4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine
CID 43329294
2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
CID 63497508
4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146932

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine (CID 43146912) is 4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine is Cc1sc2nc(Cn3cncn3)nc(Cl)c2c1C.
What is the InChIKey of 4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine?
The InChIKey is JRWTVIXJELPEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5S/c1-6-7(2)18-11-9(6)10(12)15-8(16-11)3-17-5-13-4-14-17/h4-5H,3H2,1-2H3.
What are the key properties of 4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine?
4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine has a molecular weight of 279.76 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 43146912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).