6-ethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine

C15H18N4O2 — CID 62192344

IUPAC6-ethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC)nc(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C15H18N4O2/c1-3-8-16-14-10-12(4-2)17-15(18-14)11-6-5-7-13(9-11)19(20)21/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17,18)
InChIKeyGZWAVUKAJSUVBD-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.44
Rot. Bonds6

About 6-ethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine

6-ethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine (PubChem CID 62192344) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-ethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
PubChem CID62192344
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name6-ethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC)nc(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C15H18N4O2/c1-3-8-16-14-10-12(4-2)17-15(18-14)11-6-5-7-13(9-11)19(20)21/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17,18)
InChIKeyGZWAVUKAJSUVBD-UHFFFAOYSA-N
XLogP3.44
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

6-ethyl-2-phenyl-N-propylpyrimidin-4-amine
CID 62192699
3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 62202780
5,6-dimethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
CID 62192565
3-(3-nitrophenyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 55095768
5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
CID 66305532
6-ethyl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 62190215
N'-methyl-N-[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]-N'-propan-2-ylethane-1,2-diamine
CID 133301357
2-chloro-6-ethyl-4-(3-nitrophenyl)pyridine
CID 13402562
6-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine
CID 133459088
methyl 2-methyl-3-[[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]amino]propanoate
CID 133301364
4-methyl-N-[2-[[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 52675329
N-[(1R)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608665

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine (CID 62192344) is 6-ethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine is CCCNc1cc(CC)nc(-c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 6-ethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine?
The InChIKey is GZWAVUKAJSUVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-8-16-14-10-12(4-2)17-15(18-14)11-6-5-7-13(9-11)19(20)21/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17,18).
What are the key properties of 6-ethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine?
6-ethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine has a molecular weight of 286.33 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 62192344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).