6-nitro-N-(2-phenylethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

C19H15N5O2S — CID 18460262

IUPAC6-nitro-N-(2-phenylethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESO=[N+]([O-])c1cc2c(NCCc3ccccc3)nc(-c3ccccn3)nc2s1
InChIInChI=1S/C19H15N5O2S/c25-24(26)16-12-14-17(21-11-9-13-6-2-1-3-7-13)22-18(23-19(14)27-16)15-8-4-5-10-20-15/h1-8,10,12H,9,11H2,(H,21,22,23)
InChIKeyBRBHSWABDANWPF-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.32
Rot. Bonds6

About 6-nitro-N-(2-phenylethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

6-nitro-N-(2-phenylethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 18460262) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is 6-nitro-N-(2-phenylethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-nitro-N-(2-phenylethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID18460262
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC Name6-nitro-N-(2-phenylethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESO=[N+]([O-])c1cc2c(NCCc3ccccc3)nc(-c3ccccn3)nc2s1
InChIInChI=1S/C19H15N5O2S/c25-24(26)16-12-14-17(21-11-9-13-6-2-1-3-7-13)22-18(23-19(14)27-16)15-8-4-5-10-20-15/h1-8,10,12H,9,11H2,(H,21,22,23)
InChIKeyBRBHSWABDANWPF-UHFFFAOYSA-N
XLogP4.32
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.32
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

4-[6-nitro-4-(2-phenylethylamino)thieno[2,3-d]pyrimidin-2-yl]cyclohexane-1-carboxylic acid
CID 23289522
N-benzyl-2-chloro-6-nitrothieno[2,3-d]pyrimidin-4-amine
CID 18460015
N-(2-phenylethyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 18686833
N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460066
N-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 4050048
6-methyl-N-(3-phenylpropyl)-2-pyrimidin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 166119848
4-[6-nitro-4-[(3-nitrophenyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]benzoic acid
CID 23289753
N-[(4-fluorophenyl)methyl]-6-nitro-2-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
CID 154490594
6-methyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460517
2-chloro-6-nitro-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 18460536
2-pyridin-2-yl-N-[3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propyl]-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 166120202
3-[[6-(2-phenylethylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963655

Frequently Asked Questions

What is the IUPAC name of 6-nitro-N-(2-phenylethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-nitro-N-(2-phenylethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 18460262) is 6-nitro-N-(2-phenylethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-nitro-N-(2-phenylethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-nitro-N-(2-phenylethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is O=[N+]([O-])c1cc2c(NCCc3ccccc3)nc(-c3ccccn3)nc2s1.
What is the InChIKey of 6-nitro-N-(2-phenylethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BRBHSWABDANWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c25-24(26)16-12-14-17(21-11-9-13-6-2-1-3-7-13)22-18(23-19(14)27-16)15-8-4-5-10-20-15/h1-8,10,12H,9,11H2,(H,21,22,23).
What are the key properties of 6-nitro-N-(2-phenylethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
6-nitro-N-(2-phenylethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 377.43 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N-(2-phenylethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18460262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).