2-[(dimethylamino)methyl]-N-methyl-5-phenyl-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

C21H21N5S — CID 141105809

IUPAC2-[(dimethylamino)methyl]-N-methyl-5-phenyl-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)Cc1nc(N(C)c2ccccn2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H21N5S/c1-25(2)13-17-23-20(26(3)18-11-7-8-12-22-18)19-16(14-27-21(19)24-17)15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3
InChIKeyCPATUWHNERMXFL-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.58
Rot. Bonds5

About 2-[(dimethylamino)methyl]-N-methyl-5-phenyl-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

2-[(dimethylamino)methyl]-N-methyl-5-phenyl-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 141105809) has the molecular formula C21H21N5S and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-methyl-5-phenyl-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-methyl-5-phenyl-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID141105809
Molecular FormulaC21H21N5S
Molecular Weight375.50 g/mol
Exact Mass375.15
IUPAC Name2-[(dimethylamino)methyl]-N-methyl-5-phenyl-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)Cc1nc(N(C)c2ccccn2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H21N5S/c1-25(2)13-17-23-20(26(3)18-11-7-8-12-22-18)19-16(14-27-21(19)24-17)15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3
InChIKeyCPATUWHNERMXFL-UHFFFAOYSA-N
XLogP4.58
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-methyl-5-phenyl-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-N-methyl-5-phenyl-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 141105809) is 2-[(dimethylamino)methyl]-N-methyl-5-phenyl-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-methyl-5-phenyl-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-methyl-5-phenyl-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is CN(C)Cc1nc(N(C)c2ccccn2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-methyl-5-phenyl-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CPATUWHNERMXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5S/c1-25(2)13-17-23-20(26(3)18-11-7-8-12-22-18)19-16(14-27-21(19)24-17)15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-methyl-5-phenyl-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
2-[(dimethylamino)methyl]-N-methyl-5-phenyl-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 375.50 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-methyl-5-phenyl-N-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 141105809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).