2-(2-aminoethyl)-N-methyl-N-(4-nitrophenyl)pyrimidin-5-amine

C13H15N5O2 — CID 135155004

IUPAC2-(2-aminoethyl)-N-methyl-N-(4-nitrophenyl)pyrimidin-5-amine
SMILESCN(c1ccc([N+](=O)[O-])cc1)c1cnc(CCN)nc1
InChIInChI=1S/C13H15N5O2/c1-17(10-2-4-11(5-3-10)18(19)20)12-8-15-13(6-7-14)16-9-12/h2-5,8-9H,6-7,14H2,1H3
InChIKeyWXEPGQYRGUMXGV-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.65
Rot. Bonds5

About 2-(2-aminoethyl)-N-methyl-N-(4-nitrophenyl)pyrimidin-5-amine

2-(2-aminoethyl)-N-methyl-N-(4-nitrophenyl)pyrimidin-5-amine (PubChem CID 135155004) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-methyl-N-(4-nitrophenyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-methyl-N-(4-nitrophenyl)pyrimidin-5-amine
PubChem CID135155004
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-(2-aminoethyl)-N-methyl-N-(4-nitrophenyl)pyrimidin-5-amine
SMILESCN(c1ccc([N+](=O)[O-])cc1)c1cnc(CCN)nc1
InChIInChI=1S/C13H15N5O2/c1-17(10-2-4-11(5-3-10)18(19)20)12-8-15-13(6-7-14)16-9-12/h2-5,8-9H,6-7,14H2,1H3
InChIKeyWXEPGQYRGUMXGV-UHFFFAOYSA-N
XLogP1.65
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.65
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

2-[5-(3-nitrophenyl)pyrimidin-2-yl]ethanamine
CID 135155089
N-methyl-4-nitro-N-phenylaniline
CID 11287619
N-(4-bromophenyl)-N-methyl-4-nitroaniline
CID 134433384
2-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]ethanamine
CID 142384195
2-(2-methyl-4-nitrophenyl)ethanamine
CID 130050826
N-methyl-N-(4-nitrophenyl)-1H-pyrazol-5-amine
CID 144959186
2-amino-N-methyl-N-(4-nitrophenyl)pyrimidine-5-sulfonamide
CID 62142843
1-nitro-4-propylbenzene;propan-1-amine
CID 144859121
2-(N-methyl-4-nitroanilino)ethyl acetate
CID 91724161
1-(2-aminoethyl)-1-(4-nitrophenyl)urea
CID 53435798
methanamine;4-nitroaniline
CID 22708932
3-[[[4-(N-methyl-4-nitroanilino)pyrimidin-2-yl]amino]methyl]benzamide
CID 140845822

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-methyl-N-(4-nitrophenyl)pyrimidin-5-amine?
The IUPAC name of 2-(2-aminoethyl)-N-methyl-N-(4-nitrophenyl)pyrimidin-5-amine (CID 135155004) is 2-(2-aminoethyl)-N-methyl-N-(4-nitrophenyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(2-aminoethyl)-N-methyl-N-(4-nitrophenyl)pyrimidin-5-amine?
The canonical SMILES for 2-(2-aminoethyl)-N-methyl-N-(4-nitrophenyl)pyrimidin-5-amine is CN(c1ccc([N+](=O)[O-])cc1)c1cnc(CCN)nc1.
What is the InChIKey of 2-(2-aminoethyl)-N-methyl-N-(4-nitrophenyl)pyrimidin-5-amine?
The InChIKey is WXEPGQYRGUMXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-17(10-2-4-11(5-3-10)18(19)20)12-8-15-13(6-7-14)16-9-12/h2-5,8-9H,6-7,14H2,1H3.
What are the key properties of 2-(2-aminoethyl)-N-methyl-N-(4-nitrophenyl)pyrimidin-5-amine?
2-(2-aminoethyl)-N-methyl-N-(4-nitrophenyl)pyrimidin-5-amine has a molecular weight of 273.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-methyl-N-(4-nitrophenyl)pyrimidin-5-amine is sourced from PubChem (CID 135155004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).