N-(4-methoxy-2-nitrophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

C19H14N4O3S — CID 3743434

IUPACN-(4-methoxy-2-nitrophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3scc(-c4ccccc4)c23)c([N+](=O)[O-])c1
InChIInChI=1S/C19H14N4O3S/c1-26-13-7-8-15(16(9-13)23(24)25)22-18-17-14(12-5-3-2-4-6-12)10-27-19(17)21-11-20-18/h2-11H,1H3,(H,20,21,22)
InChIKeyMUUMDANHYZAFCD-UHFFFAOYSA-N
MW378.41 g/mol
LogP5.02
Rot. Bonds5

About N-(4-methoxy-2-nitrophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

N-(4-methoxy-2-nitrophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 3743434) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID3743434
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC NameN-(4-methoxy-2-nitrophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3scc(-c4ccccc4)c23)c([N+](=O)[O-])c1
InChIInChI=1S/C19H14N4O3S/c1-26-13-7-8-15(16(9-13)23(24)25)22-18-17-14(12-5-3-2-4-6-12)10-27-19(17)21-11-20-18/h2-11H,1H3,(H,20,21,22)
InChIKeyMUUMDANHYZAFCD-UHFFFAOYSA-N
XLogP5.02
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.41
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-[2,5-dimethoxy-4-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]benzamide
CID 21010306
N-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009652
5-(3,4-dimethoxyphenyl)-N-(4-methoxy-3-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010530
5-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 26470392
N-(3,4-dimethoxyphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7636536
N-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011399
methyl 4-chloro-3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 21011894
N-(4-methoxy-2-nitrophenyl)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 3707688
5-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylic acid
CID 21009455
4-chloro-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011514
3-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid;hydrochloride
CID 44635770
5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 1194680

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 3743434) is N-(4-methoxy-2-nitrophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(Nc2ncnc3scc(-c4ccccc4)c23)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MUUMDANHYZAFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S/c1-26-13-7-8-15(16(9-13)23(24)25)22-18-17-14(12-5-3-2-4-6-12)10-27-19(17)21-11-20-18/h2-11H,1H3,(H,20,21,22).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-(4-methoxy-2-nitrophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 378.41 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 3743434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).