2,7-dimethylthieno[3,2-d]pyrimidin-4-amine;dihydrochloride

C8H11Cl2N3S — CID 175863226

IUPAC2,7-dimethylthieno[3,2-d]pyrimidin-4-amine;dihydrochloride
SMILESCc1nc(N)c2scc(C)c2n1.Cl.Cl
InChIInChI=1S/C8H9N3S.2ClH/c1-4-3-12-7-6(4)10-5(2)11-8(7)9;;/h3H,1-2H3,(H2,9,10,11);2*1H
InChIKeyBCTHHWIYLWZNBT-UHFFFAOYSA-N
MW252.17 g/mol
LogP2.73
Rot. Bonds

About 2,7-dimethylthieno[3,2-d]pyrimidin-4-amine;dihydrochloride

2,7-dimethylthieno[3,2-d]pyrimidin-4-amine;dihydrochloride (PubChem CID 175863226) has the molecular formula C8H11Cl2N3S and a molecular weight of 252.17 g/mol. Its IUPAC name is 2,7-dimethylthieno[3,2-d]pyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name2,7-dimethylthieno[3,2-d]pyrimidin-4-amine;dihydrochloride
PubChem CID175863226
Molecular FormulaC8H11Cl2N3S
Molecular Weight252.17 g/mol
Exact Mass251.01
IUPAC Name2,7-dimethylthieno[3,2-d]pyrimidin-4-amine;dihydrochloride
SMILESCc1nc(N)c2scc(C)c2n1.Cl.Cl
InChIInChI=1S/C8H9N3S.2ClH/c1-4-3-12-7-6(4)10-5(2)11-8(7)9;;/h3H,1-2H3,(H2,9,10,11);2*1H
InChIKeyBCTHHWIYLWZNBT-UHFFFAOYSA-N
XLogP2.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-[1,2]thiazolo[4,5-d]pyrimidin-7-amine
CID 84657455
7-bromo-2-ethylthieno[3,2-d]pyrimidin-4-amine
CID 130051359
3-methylthieno[3,2-b]pyridin-5-amine
CID 131162328
2-chloro-7-methyl-4-(2-methylbutan-2-yl)thieno[3,2-d]pyrimidine
CID 129143474
3-[(1S)-1-[(2,7-dimethylthieno[3,2-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 166325328
6-chloro-2,7-dimethylpyrido[3,2-d]pyrimidin-4-amine
CID 155340641
4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrazol-3-amine
CID 102687065
4,7-dimethylthieno[3,2-d]pyrimidine;ethane
CID 143718992
4,7-dimethylthieno[3,2-d]pyrimidine;ethane
CID 143718970
1-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)hydrazine
CID 146460535
N-tert-butyl-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 18326429
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazol-3-amine
CID 102687063

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylthieno[3,2-d]pyrimidin-4-amine;dihydrochloride?
The IUPAC name of 2,7-dimethylthieno[3,2-d]pyrimidin-4-amine;dihydrochloride (CID 175863226) is 2,7-dimethylthieno[3,2-d]pyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 2,7-dimethylthieno[3,2-d]pyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 2,7-dimethylthieno[3,2-d]pyrimidin-4-amine;dihydrochloride is Cc1nc(N)c2scc(C)c2n1.Cl.Cl.
What is the InChIKey of 2,7-dimethylthieno[3,2-d]pyrimidin-4-amine;dihydrochloride?
The InChIKey is BCTHHWIYLWZNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S.2ClH/c1-4-3-12-7-6(4)10-5(2)11-8(7)9;;/h3H,1-2H3,(H2,9,10,11);2*1H.
What are the key properties of 2,7-dimethylthieno[3,2-d]pyrimidin-4-amine;dihydrochloride?
2,7-dimethylthieno[3,2-d]pyrimidin-4-amine;dihydrochloride has a molecular weight of 252.17 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylthieno[3,2-d]pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 175863226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).