2-[(dimethylamino)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

C23H22N6S — CID 133278788

IUPAC2-[(dimethylamino)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)Cc1nc(NCc2cn3ccccc3n2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C23H22N6S/c1-28(2)14-19-26-22(24-12-17-13-29-11-7-6-10-20(29)25-17)21-18(15-30-23(21)27-19)16-8-4-3-5-9-16/h3-11,13,15H,12,14H2,1-2H3,(H,24,26,27)
InChIKeyKFHVUKMXRMNPAY-UHFFFAOYSA-N
MW414.54 g/mol
LogP4.68
Rot. Bonds6

About 2-[(dimethylamino)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

2-[(dimethylamino)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133278788) has the molecular formula C23H22N6S and a molecular weight of 414.54 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133278788
Molecular FormulaC23H22N6S
Molecular Weight414.54 g/mol
Exact Mass414.16
IUPAC Name2-[(dimethylamino)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)Cc1nc(NCc2cn3ccccc3n2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C23H22N6S/c1-28(2)14-19-26-22(24-12-17-13-29-11-7-6-10-20(29)25-17)21-18(15-30-23(21)27-19)16-8-4-3-5-9-16/h3-11,13,15H,12,14H2,1-2H3,(H,24,26,27)
InChIKeyKFHVUKMXRMNPAY-UHFFFAOYSA-N
XLogP4.68
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(dimethylamino)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine with MolForge

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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-(2-methylsulfanylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278781
N-[3-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 133279040
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 122058325
N-cyclopent-3-en-1-yl-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133362238
2-[(dimethylamino)methyl]-N-(1-methylpiperidin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278823
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-phenylaniline
CID 43825852
methyl 3-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate
CID 133385745
2-[(dimethylamino)methyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133279117
N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 133447047
2-[(dimethylamino)methyl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133355718
N-(2-cyclopropyloxan-4-yl)-2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133473734

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 133278788) is 2-[(dimethylamino)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is CN(C)Cc1nc(NCc2cn3ccccc3n2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KFHVUKMXRMNPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6S/c1-28(2)14-19-26-22(24-12-17-13-29-11-7-6-10-20(29)25-17)21-18(15-30-23(21)27-19)16-8-4-3-5-9-16/h3-11,13,15H,12,14H2,1-2H3,(H,24,26,27).
What are the key properties of 2-[(dimethylamino)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
2-[(dimethylamino)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 414.54 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133278788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).