N-phenyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide

C19H15N5OS — CID 68772561

IUPACN-phenyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C19H15N5OS/c25-18(22-14-6-2-1-3-7-14)16-17-15(8-10-26-17)23-19(24-16)21-12-13-5-4-9-20-11-13/h1-11H,12H2,(H,22,25)(H,21,23,24)
InChIKeyMWAYBYZTNHSGLY-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.95
Rot. Bonds5

About N-phenyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide

N-phenyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 68772561) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is N-phenyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID68772561
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC NameN-phenyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C19H15N5OS/c25-18(22-14-6-2-1-3-7-14)16-17-15(8-10-26-17)23-19(24-16)21-12-13-5-4-9-20-11-13/h1-11H,12H2,(H,22,25)(H,21,23,24)
InChIKeyMWAYBYZTNHSGLY-UHFFFAOYSA-N
XLogP3.95
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-phenyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide (CID 68772561) is N-phenyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-phenyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-phenyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide is O=C(Nc1ccccc1)c1nc(NCc2cccnc2)nc2ccsc12.
What is the InChIKey of N-phenyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is MWAYBYZTNHSGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c25-18(22-14-6-2-1-3-7-14)16-17-15(8-10-26-17)23-19(24-16)21-12-13-5-4-9-20-11-13/h1-11H,12H2,(H,22,25)(H,21,23,24).
What are the key properties of N-phenyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
N-phenyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 68772561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).