2-methyl-5-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine

C19H18N6S — CID 133281591

IUPAC2-methyl-5-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NC2CCc3ncnn3C2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C19H18N6S/c1-12-22-18(24-14-7-8-16-20-11-21-25(16)9-14)17-15(10-26-19(17)23-12)13-5-3-2-4-6-13/h2-6,10-11,14H,7-9H2,1H3,(H,22,23,24)
InChIKeyJJHQTVGWMVTRRX-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.69
Rot. Bonds3

About 2-methyl-5-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine

2-methyl-5-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133281591) has the molecular formula C19H18N6S and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-methyl-5-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID133281591
Molecular FormulaC19H18N6S
Molecular Weight362.46 g/mol
Exact Mass362.13
IUPAC Name2-methyl-5-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NC2CCc3ncnn3C2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C19H18N6S/c1-12-22-18(24-14-7-8-16-20-11-21-25(16)9-14)17-15(10-26-19(17)23-12)13-5-3-2-4-6-13/h2-6,10-11,14H,7-9H2,1H3,(H,22,23,24)
InChIKeyJJHQTVGWMVTRRX-UHFFFAOYSA-N
XLogP3.69
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,5,6-trimethyl-N-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thieno[2,3-d]pyrimidin-4-amine
CID 95291973
1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione
CID 133417765
(2R)-1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol
CID 97246173
2-methyl-5-(4-methylphenyl)-N-piperidin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 28851890
N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine
CID 95290576
5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133281577
(6S)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95322037
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9211978
N-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2554418
(6R)-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291237
2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278823
N-(1-benzylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 985393

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine (CID 133281591) is 2-methyl-5-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1nc(NC2CCc3ncnn3C2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-methyl-5-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JJHQTVGWMVTRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6S/c1-12-22-18(24-14-7-8-16-20-11-21-25(16)9-14)17-15(10-26-19(17)23-12)13-5-3-2-4-6-13/h2-6,10-11,14H,7-9H2,1H3,(H,22,23,24).
What are the key properties of 2-methyl-5-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine?
2-methyl-5-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 362.46 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133281591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).