2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

C21H27N5S — CID 133278823

IUPAC2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)Cc1nc(NC2CCN(C)CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H27N5S/c1-25(2)13-18-23-20(22-16-9-11-26(3)12-10-16)19-17(14-27-21(19)24-18)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H,22,23,24)
InChIKeyAHLFWMHOSNGVQU-UHFFFAOYSA-N
MW381.55 g/mol
LogP3.93
Rot. Bonds5

About 2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133278823) has the molecular formula C21H27N5S and a molecular weight of 381.55 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133278823
Molecular FormulaC21H27N5S
Molecular Weight381.55 g/mol
Exact Mass381.20
IUPAC Name2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)Cc1nc(NC2CCN(C)CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H27N5S/c1-25(2)13-18-23-20(22-16-9-11-26(3)12-10-16)19-17(14-27-21(19)24-18)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H,22,23,24)
InChIKeyAHLFWMHOSNGVQU-UHFFFAOYSA-N
XLogP3.93
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133362238
2-[(dimethylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278793
methyl 3-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate
CID 133385745
N-(2-cyclopropyloxan-4-yl)-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133473734
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133313013
N-cyclohexyl-5-phenyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2554418
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 133278690
1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one
CID 133278968
2-[(dimethylamino)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133279089
2-[(dimethylamino)methyl]-N-(oxolan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278676
N-[1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 133279228
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 122058325

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 133278823) is 2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is CN(C)Cc1nc(NC2CCN(C)CC2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AHLFWMHOSNGVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5S/c1-25(2)13-18-23-20(22-16-9-11-26(3)12-10-16)19-17(14-27-21(19)24-18)15-7-5-4-6-8-15/h4-8,14,16H,9-13H2,1-3H3,(H,22,23,24).
What are the key properties of 2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 381.55 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133278823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).