2-(2-nitrophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C12H10N4O2S — CID 83190548

IUPAC2-(2-nitrophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccccc2[N+](=O)[O-])nc2c1CSC2
InChIInChI=1S/C12H10N4O2S/c13-11-8-5-19-6-9(8)14-12(15-11)7-3-1-2-4-10(7)16(17)18/h1-4H,5-6H2,(H2,13,14,15)
InChIKeyBWGMVBZSZNBOOH-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.38
Rot. Bonds2

About 2-(2-nitrophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(2-nitrophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83190548) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-nitrophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83190548
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name2-(2-nitrophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccccc2[N+](=O)[O-])nc2c1CSC2
InChIInChI=1S/C12H10N4O2S/c13-11-8-5-19-6-9(8)14-12(15-11)7-3-1-2-4-10(7)16(17)18/h1-4H,5-6H2,(H2,13,14,15)
InChIKeyBWGMVBZSZNBOOH-UHFFFAOYSA-N
XLogP2.38
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-(2-nitrophenyl)pyrimidine-5-carboxamide
CID 116647923
4-methylsulfanyl-6-(2-nitrophenyl)-1,3,5-triazin-2-amine
CID 78909338
[2-(2-nitrophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473523
4-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 83191782
2-[5-fluoro-2-(trifluoromethyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83192977
N-methyl-1-[2-(2-nitrophenyl)pyrimidin-4-yl]methanamine
CID 55109588
N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 62191141
4-methyl-3-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63344972
N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 62190534
1-cyclopropyl-1-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 64668290
2-methoxy-2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109204
4-chloro-2-(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83196766

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-nitrophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83190548) is 2-(2-nitrophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-nitrophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-nitrophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is Nc1nc(-c2ccccc2[N+](=O)[O-])nc2c1CSC2.
What is the InChIKey of 2-(2-nitrophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is BWGMVBZSZNBOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c13-11-8-5-19-6-9(8)14-12(15-11)7-3-1-2-4-10(7)16(17)18/h1-4H,5-6H2,(H2,13,14,15).
What are the key properties of 2-(2-nitrophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(2-nitrophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 274.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83190548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).