phenyl-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone

C19H14N4OS — CID 46883158

IUPACphenyl-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESO=C(c1ccccc1)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C19H14N4OS/c24-17(14-6-2-1-3-7-14)16-18-15(8-10-25-18)22-19(23-16)21-12-13-5-4-9-20-11-13/h1-11H,12H2,(H,21,22,23)
InChIKeyNJLNJHCKQVRQDL-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.93
Rot. Bonds5

About phenyl-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone

phenyl-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone (PubChem CID 46883158) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is phenyl-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Namephenyl-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
PubChem CID46883158
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Namephenyl-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESO=C(c1ccccc1)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C19H14N4OS/c24-17(14-6-2-1-3-7-14)16-18-15(8-10-25-18)22-19(23-16)21-12-13-5-4-9-20-11-13/h1-11H,12H2,(H,21,22,23)
InChIKeyNJLNJHCKQVRQDL-UHFFFAOYSA-N
XLogP3.93
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492937
3-(5-ethylthiophen-2-yl)-2-(5-pyridin-3-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492945
3-(5-ethylthiophen-2-yl)-2-(5-pyridin-4-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492955
3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492968
N-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 25138104
1-[4-[4-[3-(Dimethylamino)propylamino]-2-(methylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]ethanone
CID 76332495
4-(6-Phenyl-thieno[3,2-d]pyrimidin-4-ylamino)-benzamide
CID 18382823
[4-(1H-Indol-5-ylamino)-thieno[3,2-d]pyrimidin-6-yl]-phenyl-methanone
CID 18383038
Phenyl 2-trifluoromethylthieno[3,2-d]pyrimidin-4-ylmethanone
CID 22674379
[2-(Ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674410
[2-(Benzylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674477
1H-pyrrol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 22674492

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
The IUPAC name of phenyl-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone (CID 46883158) is phenyl-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone.
What is the SMILES notation for phenyl-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
The canonical SMILES for phenyl-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone is O=C(c1ccccc1)c1nc(NCc2cccnc2)nc2ccsc12.
What is the InChIKey of phenyl-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
The InChIKey is NJLNJHCKQVRQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c24-17(14-6-2-1-3-7-14)16-18-15(8-10-25-18)22-19(23-16)21-12-13-5-4-9-20-11-13/h1-11H,12H2,(H,21,22,23).
What are the key properties of phenyl-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
phenyl-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone has a molecular weight of 346.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone is sourced from PubChem (CID 46883158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).