N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

C19H14Cl2N4S — CID 91965281

IUPACN-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(Nc3cc(Cl)cc(Cl)c3)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C19H14Cl2N4S/c1-2-15-9-16-18(23-14-7-12(20)6-13(21)8-14)24-17(25-19(16)26-15)11-4-3-5-22-10-11/h3-10H,2H2,1H3,(H,23,24,25)
InChIKeyGQGKUQOFUFTIPY-UHFFFAOYSA-N
MW401.32 g/mol
LogP6.37
Rot. Bonds4

About N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91965281) has the molecular formula C19H14Cl2N4S and a molecular weight of 401.32 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91965281
Molecular FormulaC19H14Cl2N4S
Molecular Weight401.32 g/mol
Exact Mass400.03
IUPAC NameN-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(Nc3cc(Cl)cc(Cl)c3)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C19H14Cl2N4S/c1-2-15-9-16-18(23-14-7-12(20)6-13(21)8-14)24-17(25-19(16)26-15)11-4-3-5-22-10-11/h3-10H,2H2,1H3,(H,23,24,25)
InChIKeyGQGKUQOFUFTIPY-UHFFFAOYSA-N
XLogP6.37
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.32
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 91965311
6-chloro-N-(3,5-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180045
N-(3,5-dichlorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 1387933
2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 91965573
N-(3,5-dichlorophenyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 91965124
N-(3,5-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71273959
N-(4-fluorophenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 71690988
7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71179804
2-chloro-N-(3-chloro-5-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 107368867
4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965383
6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180077
N-(3-chlorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 16627283

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (CID 91965281) is N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(Nc3cc(Cl)cc(Cl)c3)nc(-c3cccnc3)nc2s1.
What is the InChIKey of N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GQGKUQOFUFTIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4S/c1-2-15-9-16-18(23-14-7-12(20)6-13(21)8-14)24-17(25-19(16)26-15)11-4-3-5-22-10-11/h3-10H,2H2,1H3,(H,23,24,25).
What are the key properties of N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 401.32 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91965281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).