N,N-diethyl-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

C21H20N4S — CID 159082705

IUPACN,N-diethyl-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(-c2ccccn2)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C21H20N4S/c1-3-25(4-2)20-16-14-18(15-10-6-5-7-11-15)26-21(16)24-19(23-20)17-12-8-9-13-22-17/h5-14H,3-4H2,1-2H3
InChIKeyNGLZJTGWCOHZOR-UHFFFAOYSA-N
MW360.49 g/mol
LogP5.27
Rot. Bonds5

About N,N-diethyl-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

N,N-diethyl-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 159082705) has the molecular formula C21H20N4S and a molecular weight of 360.49 g/mol. Its IUPAC name is N,N-diethyl-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID159082705
Molecular FormulaC21H20N4S
Molecular Weight360.49 g/mol
Exact Mass360.14
IUPAC NameN,N-diethyl-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(-c2ccccn2)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C21H20N4S/c1-3-25(4-2)20-16-14-18(15-10-6-5-7-11-15)26-21(16)24-19(23-20)17-12-8-9-13-22-17/h5-14H,3-4H2,1-2H3
InChIKeyNGLZJTGWCOHZOR-UHFFFAOYSA-N
XLogP5.27
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.49
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylpiperidin-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 154811322
2-[(2-chloro-6-phenylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]ethanol
CID 82065842
6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2099944
4,6-diphenyl-2-pyridin-2-ylpyrimidine;ethane
CID 145283767
3-(4-amino-6-pyridin-2-ylthieno[2,3-d]pyrimidin-2-yl)benzonitrile
CID 70901414
N,N-diethyl-5-[(2-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 51042444
N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 151469506
N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475718
(2S)-1-[[(2S)-1-hydroxypropan-2-yl]-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 124855397
3-[2-carboxyethyl-(2-pyridin-2-ylquinazolin-4-yl)amino]propanoic acid
CID 59273870
4-chloro-2-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine
CID 95528658
N-methoxy-N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9107019

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,N-diethyl-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 159082705) is N,N-diethyl-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is CCN(CC)c1nc(-c2ccccn2)nc2sc(-c3ccccc3)cc12.
What is the InChIKey of N,N-diethyl-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NGLZJTGWCOHZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4S/c1-3-25(4-2)20-16-14-18(15-10-6-5-7-11-15)26-21(16)24-19(23-20)17-12-8-9-13-22-17/h5-14H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
N,N-diethyl-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 360.49 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159082705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).