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

C21H24N6S — CID 133279089

IUPAC2-[(dimethylamino)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)Cc1nc(NCCc2cnn(C)c2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H24N6S/c1-26(2)13-18-24-20(22-10-9-15-11-23-27(3)12-15)19-17(14-28-21(19)25-18)16-7-5-4-6-8-16/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,22,24,25)
InChIKeyZVBMGULAPMPSHY-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.81
Rot. Bonds7

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

2-[(dimethylamino)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133279089) has the molecular formula C21H24N6S and a molecular weight of 392.53 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133279089
Molecular FormulaC21H24N6S
Molecular Weight392.53 g/mol
Exact Mass392.18
IUPAC Name2-[(dimethylamino)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)Cc1nc(NCCc2cnn(C)c2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H24N6S/c1-26(2)13-18-24-20(22-10-9-15-11-23-27(3)12-15)19-17(14-28-21(19)25-18)16-7-5-4-6-8-16/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,22,24,25)
InChIKeyZVBMGULAPMPSHY-UHFFFAOYSA-N
XLogP3.81
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 133278807
2-[(dimethylamino)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278788
2-[(dimethylamino)methyl]-N-(oxolan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278676
2-[(dimethylamino)methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133279117
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 122058325
N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 133447047
5-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide
CID 133380672
2-[(dimethylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278793
2-[(dimethylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133279098
1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 75422132
N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine
CID 133278686
2-(methoxymethyl)-N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278714

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 133279089) is 2-[(dimethylamino)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is CN(C)Cc1nc(NCCc2cnn(C)c2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZVBMGULAPMPSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6S/c1-26(2)13-18-24-20(22-10-9-15-11-23-27(3)12-15)19-17(14-28-21(19)25-18)16-7-5-4-6-8-16/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,22,24,25).
What are the key properties of 2-[(dimethylamino)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
2-[(dimethylamino)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 392.53 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133279089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).