5,6-dimethyl-2-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine

C22H29N5S — CID 17420204

IUPAC5,6-dimethyl-2-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccccc1CN1CCN(C(C)c2nc(N)c3c(C)c(C)sc3n2)CC1
InChIInChI=1S/C22H29N5S/c1-14-7-5-6-8-18(14)13-26-9-11-27(12-10-26)16(3)21-24-20(23)19-15(2)17(4)28-22(19)25-21/h5-8,16H,9-13H2,1-4H3,(H2,23,24,25)
InChIKeyCYNXKBWHLCBSAR-UHFFFAOYSA-N
MW395.58 g/mol
LogP4.08
Rot. Bonds4

About 5,6-dimethyl-2-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-2-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 17420204) has the molecular formula C22H29N5S and a molecular weight of 395.58 g/mol. Its IUPAC name is 5,6-dimethyl-2-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID17420204
Molecular FormulaC22H29N5S
Molecular Weight395.58 g/mol
Exact Mass395.21
IUPAC Name5,6-dimethyl-2-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccccc1CN1CCN(C(C)c2nc(N)c3c(C)c(C)sc3n2)CC1
InChIInChI=1S/C22H29N5S/c1-14-7-5-6-8-18(14)13-26-9-11-27(12-10-26)16(3)21-24-20(23)19-15(2)17(4)28-22(19)25-21/h5-8,16H,9-13H2,1-4H3,(H2,23,24,25)
InChIKeyCYNXKBWHLCBSAR-UHFFFAOYSA-N
XLogP4.08
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.58
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-2-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

1-[4-[(1S)-1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]ethanone
CID 31520092
2-[(1R)-1-(4-benzylpiperazin-1-yl)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 9269859
5,6-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 60701185
2-[(1S)-1-chloroethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 40973732
3-ethyl-5-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 56684956
(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanenitrile
CID 94265650
2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 61025722
5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 60703001
1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-ol
CID 60703002
N,5,6-trimethyl-N-[(2-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18079574
3-[1-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)ethylsulfanyl]-4-(2-phenylethyl)-1H-1,2,4-triazol-5-one
CID 55483899
1-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 166756979

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 17420204) is 5,6-dimethyl-2-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1ccccc1CN1CCN(C(C)c2nc(N)c3c(C)c(C)sc3n2)CC1.
What is the InChIKey of 5,6-dimethyl-2-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CYNXKBWHLCBSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5S/c1-14-7-5-6-8-18(14)13-26-9-11-27(12-10-26)16(3)21-24-20(23)19-15(2)17(4)28-22(19)25-21/h5-8,16H,9-13H2,1-4H3,(H2,23,24,25).
What are the key properties of 5,6-dimethyl-2-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 395.58 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 17420204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).