3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide

C16H17N5OS — CID 75509069

IUPAC3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1cc2c(NCCC(=O)NCc3ccccn3)ncnc2s1
InChIInChI=1S/C16H17N5OS/c1-11-8-13-15(20-10-21-16(13)23-11)18-7-5-14(22)19-9-12-4-2-3-6-17-12/h2-4,6,8,10H,5,7,9H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyMYQCKNVSOWVIQS-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.51
Rot. Bonds6

About 3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide

3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 75509069) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID75509069
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1cc2c(NCCC(=O)NCc3ccccn3)ncnc2s1
InChIInChI=1S/C16H17N5OS/c1-11-8-13-15(20-10-21-16(13)23-11)18-7-5-14(22)19-9-12-4-2-3-6-17-12/h2-4,6,8,10H,5,7,9H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyMYQCKNVSOWVIQS-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide
CID 133408754
N-[2-(3,4-diethoxyphenyl)ethyl]-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 39085245
N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436147
3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023214
3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 42537147
N-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 39085277
N-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39161916
3-(2-ethyl-6-methylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023219
2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 39084793
2-chloro-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066295
6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 133434436
4-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 28850872

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide (CID 75509069) is 3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide is Cc1cc2c(NCCC(=O)NCc3ccccn3)ncnc2s1.
What is the InChIKey of 3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is MYQCKNVSOWVIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-11-8-13-15(20-10-21-16(13)23-11)18-7-5-14(22)19-9-12-4-2-3-6-17-12/h2-4,6,8,10H,5,7,9H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of 3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide?
3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 327.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 75509069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).