2-methyl-5-(4-methylphenyl)-N-piperidin-4-ylthieno[2,3-d]pyrimidin-4-amine

C19H22N4S — CID 28851890

IUPAC2-methyl-5-(4-methylphenyl)-N-piperidin-4-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2csc3nc(C)nc(NC4CCNCC4)c23)cc1
InChIInChI=1S/C19H22N4S/c1-12-3-5-14(6-4-12)16-11-24-19-17(16)18(21-13(2)22-19)23-15-7-9-20-10-8-15/h3-6,11,15,20H,7-10H2,1-2H3,(H,21,22,23)
InChIKeyAPIZMWFDJCOZRU-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.14
Rot. Bonds3

About 2-methyl-5-(4-methylphenyl)-N-piperidin-4-ylthieno[2,3-d]pyrimidin-4-amine

2-methyl-5-(4-methylphenyl)-N-piperidin-4-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 28851890) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-methyl-5-(4-methylphenyl)-N-piperidin-4-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-(4-methylphenyl)-N-piperidin-4-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID28851890
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name2-methyl-5-(4-methylphenyl)-N-piperidin-4-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2csc3nc(C)nc(NC4CCNCC4)c23)cc1
InChIInChI=1S/C19H22N4S/c1-12-3-5-14(6-4-12)16-11-24-19-17(16)18(21-13(2)22-19)23-15-7-9-20-10-8-15/h3-6,11,15,20H,7-10H2,1-2H3,(H,21,22,23)
InChIKeyAPIZMWFDJCOZRU-UHFFFAOYSA-N
XLogP4.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-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
2,5,6-trimethyl-N-piperidin-4-ylpyrimidin-4-amine
CID 94075339
3-methyl-5-(4-methylphenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-4-one
CID 39163546
2-chloro-N-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066336
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9211978
N'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 28852901
2,5-dimethyl-N-(thian-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133485407
7-methyl-N-piperidin-4-ylisoquinolin-1-amine
CID 82570879
4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine;(2R)-2-methylpiperazine
CID 158753076
2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278823

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylphenyl)-N-piperidin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-(4-methylphenyl)-N-piperidin-4-ylthieno[2,3-d]pyrimidin-4-amine (CID 28851890) is 2-methyl-5-(4-methylphenyl)-N-piperidin-4-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-(4-methylphenyl)-N-piperidin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-(4-methylphenyl)-N-piperidin-4-ylthieno[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2csc3nc(C)nc(NC4CCNCC4)c23)cc1.
What is the InChIKey of 2-methyl-5-(4-methylphenyl)-N-piperidin-4-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is APIZMWFDJCOZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-12-3-5-14(6-4-12)16-11-24-19-17(16)18(21-13(2)22-19)23-15-7-9-20-10-8-15/h3-6,11,15,20H,7-10H2,1-2H3,(H,21,22,23).
What are the key properties of 2-methyl-5-(4-methylphenyl)-N-piperidin-4-ylthieno[2,3-d]pyrimidin-4-amine?
2-methyl-5-(4-methylphenyl)-N-piperidin-4-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 338.48 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylphenyl)-N-piperidin-4-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 28851890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).