6-methyl-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C12H13N5S — CID 133409041

IUPAC6-methyl-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCc3ccnn3C)ncnc2s1
InChIInChI=1S/C12H13N5S/c1-8-5-10-11(14-7-15-12(10)18-8)13-6-9-3-4-16-17(9)2/h3-5,7H,6H2,1-2H3,(H,13,14,15)
InChIKeyCGIUXEUUSVJNOA-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.35
Rot. Bonds3

About 6-methyl-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

6-methyl-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133409041) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 6-methyl-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133409041
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name6-methyl-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCc3ccnn3C)ncnc2s1
InChIInChI=1S/C12H13N5S/c1-8-5-10-11(14-7-15-12(10)18-8)13-6-9-3-4-16-17(9)2/h3-5,7H,6H2,1-2H3,(H,13,14,15)
InChIKeyCGIUXEUUSVJNOA-UHFFFAOYSA-N
XLogP2.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-6-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327733
6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133332090
N-[[3-(4-bromophenyl)-1,2-oxazol-5-yl]methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 73442559
6-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133407915
N-[(2-ethoxy-3-pyridinyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 133408919
6-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133407869
5-[[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 81088363
5-bromo-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
CID 103911597
6-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133409360
6-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 129333678
6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 133434436
2-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 65035565

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 133409041) is 6-methyl-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCc3ccnn3C)ncnc2s1.
What is the InChIKey of 6-methyl-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CGIUXEUUSVJNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c1-8-5-10-11(14-7-15-12(10)18-8)13-6-9-3-4-16-17(9)2/h3-5,7H,6H2,1-2H3,(H,13,14,15).
What are the key properties of 6-methyl-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
6-methyl-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 259.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133409041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).