6-(1-benzothiophen-3-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine

C21H14N4S — CID 68910536

IUPAC6-(1-benzothiophen-3-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)c2nc(-c3csc4ccccc34)ccc2n1
InChIInChI=1S/C21H14N4S/c22-21-24-17-11-10-16(15-12-26-18-9-5-4-8-14(15)18)23-20(17)19(25-21)13-6-2-1-3-7-13/h1-12H,(H2,22,24,25)
InChIKeyLIXCSGLXCVBESW-UHFFFAOYSA-N
MW354.44 g/mol
LogP5.16
Rot. Bonds2

About 6-(1-benzothiophen-3-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine

6-(1-benzothiophen-3-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine (PubChem CID 68910536) has the molecular formula C21H14N4S and a molecular weight of 354.44 g/mol. Its IUPAC name is 6-(1-benzothiophen-3-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(1-benzothiophen-3-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine
PubChem CID68910536
Molecular FormulaC21H14N4S
Molecular Weight354.44 g/mol
Exact Mass354.09
IUPAC Name6-(1-benzothiophen-3-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)c2nc(-c3csc4ccccc34)ccc2n1
InChIInChI=1S/C21H14N4S/c22-21-24-17-11-10-16(15-12-26-18-9-5-4-8-14(15)18)23-20(17)19(25-21)13-6-2-1-3-7-13/h1-12H,(H2,22,24,25)
InChIKeyLIXCSGLXCVBESW-UHFFFAOYSA-N
XLogP5.16
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.44
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethenylphenyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine
CID 68914225
6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine
CID 68912858
6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine
CID 68911046
4-phenylquinazolin-2-amine;hydrochloride
CID 174298789
6-(6-chloro-5-methyl-3-pyridinyl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine
CID 87621094
3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)-N,N-dimethylbenzamide
CID 68913326
4-(1-benzothiophen-3-yl)-1,3-oxazol-2-amine
CID 116832461
tert-butyl 3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)benzoate
CID 68910825
6-(4-fluorophenyl)-4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-amine
CID 68913112
4-(1-benzothiophen-3-yl)pyrimidine-2-carbonitrile
CID 116900915
4-[3-(2-amino-4-phenylpyrido[3,2-d]pyrimidin-6-yl)anilino]-4-oxobutanoic acid
CID 68912338
2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine
CID 116897806

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-3-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-(1-benzothiophen-3-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine (CID 68910536) is 6-(1-benzothiophen-3-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(1-benzothiophen-3-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-(1-benzothiophen-3-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine is Nc1nc(-c2ccccc2)c2nc(-c3csc4ccccc34)ccc2n1.
What is the InChIKey of 6-(1-benzothiophen-3-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is LIXCSGLXCVBESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4S/c22-21-24-17-11-10-16(15-12-26-18-9-5-4-8-14(15)18)23-20(17)19(25-21)13-6-2-1-3-7-13/h1-12H,(H2,22,24,25).
What are the key properties of 6-(1-benzothiophen-3-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine?
6-(1-benzothiophen-3-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 354.44 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-3-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 68910536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).