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

C16H17N5OS — CID 68772018

IUPACN-propyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCCCNC(=O)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C16H17N5OS/c1-2-6-18-15(22)13-14-12(5-8-23-14)20-16(21-13)19-10-11-4-3-7-17-9-11/h3-5,7-9H,2,6,10H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyUWFAISZNHZRNET-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.84
Rot. Bonds6

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

N-propyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 68772018) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-propyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-propyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID68772018
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-propyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCCCNC(=O)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C16H17N5OS/c1-2-6-18-15(22)13-14-12(5-8-23-14)20-16(21-13)19-10-11-4-3-7-17-9-11/h3-5,7-9H,2,6,10H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyUWFAISZNHZRNET-UHFFFAOYSA-N
XLogP2.84
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 25230103
N-(2-phenylethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 25230099
methyl 2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxylate
CID 68774317
N-phenyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 68772561
(5-methylfuran-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 46883109
(5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 46883108
N-propyl-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 117080375
ethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 142540083
N-propyl-3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]benzamide
CID 133317628
6-methyl-N-pentyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329888
ethyl 2-[(5-methoxy-3-pyridinyl)methylamino]thieno[3,2-d]pyrimidine-4-carboxylate
CID 150215711
[6-chloro-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 46883208

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-propyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide (CID 68772018) is N-propyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-propyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-propyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide is CCCNC(=O)c1nc(NCc2cccnc2)nc2ccsc12.
What is the InChIKey of N-propyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is UWFAISZNHZRNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-2-6-18-15(22)13-14-12(5-8-23-14)20-16(21-13)19-10-11-4-3-7-17-9-11/h3-5,7-9H,2,6,10H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of N-propyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
N-propyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 68772018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).