6-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide

C17H19N5O2S — CID 162779417

IUPAC6-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESC[C@H](Nc1nc(C(N)=O)c2sc([C@@H](C)CO)cc2n1)c1ccccn1
InChIInChI=1S/C17H19N5O2S/c1-9(8-23)13-7-12-15(25-13)14(16(18)24)22-17(21-12)20-10(2)11-5-3-4-6-19-11/h3-7,9-10,23H,8H2,1-2H3,(H2,18,24)(H,20,21,22)/t9-,10-/m0/s1
InChIKeyYMXQMQDYKKKDBV-UWVGGRQHSA-N
MW357.44 g/mol
LogP2.45
Rot. Bonds6

About 6-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide

6-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 162779417) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 6-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID162779417
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name6-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESC[C@H](Nc1nc(C(N)=O)c2sc([C@@H](C)CO)cc2n1)c1ccccn1
InChIInChI=1S/C17H19N5O2S/c1-9(8-23)13-7-12-15(25-13)14(16(18)24)22-17(21-12)20-10(2)11-5-3-4-6-19-11/h3-7,9-10,23H,8H2,1-2H3,(H2,18,24)(H,20,21,22)/t9-,10-/m0/s1
InChIKeyYMXQMQDYKKKDBV-UWVGGRQHSA-N
XLogP2.45
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide with MolForge

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Related Compounds

ethane;methoxymethane;[6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 142540425
molecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide
CID 142540200
N-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane
CID 142540394
5-amino-2-(1-pyridin-2-ylethylamino)pyridine-3-carboxamide
CID 61360352
2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide
CID 43711075
2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidine-4-carboxamide
CID 163408066
2-hydroxyethyl N-[(1R)-1-pyridin-2-ylethyl]carbamate
CID 81406872
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide
CID 92520286
N-methyl-6-(1-pyridin-2-ylethylamino)pyridazine-3-carboxamide
CID 79005908
3-(1-pyridin-2-ylethylamino)butanamide
CID 115572776
5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64628864
ethane;1-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 142540161

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of 6-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide (CID 162779417) is 6-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide is C[C@H](Nc1nc(C(N)=O)c2sc([C@@H](C)CO)cc2n1)c1ccccn1.
What is the InChIKey of 6-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is YMXQMQDYKKKDBV-UWVGGRQHSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-9(8-23)13-7-12-15(25-13)14(16(18)24)22-17(21-12)20-10(2)11-5-3-4-6-19-11/h3-7,9-10,23H,8H2,1-2H3,(H2,18,24)(H,20,21,22)/t9-,10-/m0/s1.
What are the key properties of 6-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide?
6-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 162779417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).