4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine

C13H12ClN3S2 — CID 62800354

IUPAC4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine
SMILESCc1nc(Cc2nc(Cl)c3c(C)c(C)sc3n2)cs1
InChIInChI=1S/C13H12ClN3S2/c1-6-7(2)19-13-11(6)12(14)16-10(17-13)4-9-5-18-8(3)15-9/h5H,4H2,1-3H3
InChIKeyCAMYUJAHSUUZDD-UHFFFAOYSA-N
MW309.85 g/mol
LogP4.32
Rot. Bonds2

About 4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine

4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine (PubChem CID 62800354) has the molecular formula C13H12ClN3S2 and a molecular weight of 309.85 g/mol. Its IUPAC name is 4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine
PubChem CID62800354
Molecular FormulaC13H12ClN3S2
Molecular Weight309.85 g/mol
Exact Mass309.02
IUPAC Name4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine
SMILESCc1nc(Cc2nc(Cl)c3c(C)c(C)sc3n2)cs1
InChIInChI=1S/C13H12ClN3S2/c1-6-7(2)19-13-11(6)12(14)16-10(17-13)4-9-5-18-8(3)15-9/h5H,4H2,1-3H3
InChIKeyCAMYUJAHSUUZDD-UHFFFAOYSA-N
XLogP4.32
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine with MolForge

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Related Compounds

4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine
CID 55119649
4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146917
4-[(4-chloro-5-iodopyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole
CID 66293677
2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
CID 63497508
4-chloro-2-(3,3-dimethylbutyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 114211085
4-[(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole
CID 66294245
4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146932
4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine
CID 43329294
2-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]phenol
CID 62026693
4-chloro-5,6-dimethyl-2-(1,2,4-triazol-1-ylmethyl)thieno[2,3-d]pyrimidine
CID 43146912
4-chloro-5,6-dimethyl-2-(phenylmethoxymethyl)thieno[2,3-d]pyrimidine
CID 43146916
4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole
CID 66292433

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine (CID 62800354) is 4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine is Cc1nc(Cc2nc(Cl)c3c(C)c(C)sc3n2)cs1.
What is the InChIKey of 4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine?
The InChIKey is CAMYUJAHSUUZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S2/c1-6-7(2)19-13-11(6)12(14)16-10(17-13)4-9-5-18-8(3)15-9/h5H,4H2,1-3H3.
What are the key properties of 4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine?
4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine has a molecular weight of 309.85 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 62800354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).