6-bromo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine

C12H12BrN5S — CID 138031318

IUPAC6-bromo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1[nH]ncc1CN(C)c1ncnc2cc(Br)sc12
InChIInChI=1S/C12H12BrN5S/c1-7-8(4-16-17-7)5-18(2)12-11-9(14-6-15-12)3-10(13)19-11/h3-4,6H,5H2,1-2H3,(H,16,17)
InChIKeyBKYYBXWEBPUTEM-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.12
Rot. Bonds3

About 6-bromo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine

6-bromo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 138031318) has the molecular formula C12H12BrN5S and a molecular weight of 338.23 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID138031318
Molecular FormulaC12H12BrN5S
Molecular Weight338.23 g/mol
Exact Mass337.00
IUPAC Name6-bromo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1[nH]ncc1CN(C)c1ncnc2cc(Br)sc12
InChIInChI=1S/C12H12BrN5S/c1-7-8(4-16-17-7)5-18(2)12-11-9(14-6-15-12)3-10(13)19-11/h3-4,6H,5H2,1-2H3,(H,16,17)
InChIKeyBKYYBXWEBPUTEM-UHFFFAOYSA-N
XLogP3.12
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

5-chloro-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
CID 131946110
N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 162144971
2-iodo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 118972141
N-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine
CID 78901234
2-(methoxymethyl)-N,6-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine
CID 126823286
1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 131908366
N-methyl-N-[(5-methylthiophen-2-yl)methyl]quinazolin-4-amine
CID 171702612
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 35790315
2-N-[(5-bromothiophen-2-yl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 115147983
7-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine
CID 86809014
5-bromo-6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 139018915
1,5-dimethyl-4-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]pyrrole-2-carbonitrile
CID 131930286

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-bromo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine (CID 138031318) is 6-bromo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine is Cc1[nH]ncc1CN(C)c1ncnc2cc(Br)sc12.
What is the InChIKey of 6-bromo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is BKYYBXWEBPUTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5S/c1-7-8(4-16-17-7)5-18(2)12-11-9(14-6-15-12)3-10(13)19-11/h3-4,6H,5H2,1-2H3,(H,16,17).
What are the key properties of 6-bromo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine?
6-bromo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 338.23 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 138031318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).