N-ethyl-1-[4-methyl-2-(4-nitrophenyl)pyrimidin-5-yl]ethanamine

C15H18N4O2 — CID 62771904

IUPACN-ethyl-1-[4-methyl-2-(4-nitrophenyl)pyrimidin-5-yl]ethanamine
SMILESCCNC(C)c1cnc(-c2ccc([N+](=O)[O-])cc2)nc1C
InChIInChI=1S/C15H18N4O2/c1-4-16-10(2)14-9-17-15(18-11(14)3)12-5-7-13(8-6-12)19(20)21/h5-10,16H,4H2,1-3H3
InChIKeyQMJGBGQXIQDUND-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.03
Rot. Bonds5

About N-ethyl-1-[4-methyl-2-(4-nitrophenyl)pyrimidin-5-yl]ethanamine

N-ethyl-1-[4-methyl-2-(4-nitrophenyl)pyrimidin-5-yl]ethanamine (PubChem CID 62771904) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-ethyl-1-[4-methyl-2-(4-nitrophenyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-methyl-2-(4-nitrophenyl)pyrimidin-5-yl]ethanamine
PubChem CID62771904
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-ethyl-1-[4-methyl-2-(4-nitrophenyl)pyrimidin-5-yl]ethanamine
SMILESCCNC(C)c1cnc(-c2ccc([N+](=O)[O-])cc2)nc1C
InChIInChI=1S/C15H18N4O2/c1-4-16-10(2)14-9-17-15(18-11(14)3)12-5-7-13(8-6-12)19(20)21/h5-10,16H,4H2,1-3H3
InChIKeyQMJGBGQXIQDUND-UHFFFAOYSA-N
XLogP3.03
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.03
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

N-ethyl-5,6-dimethyl-2-(4-nitrophenyl)pyrimidin-4-amine
CID 62192376
(1S)-1-[4-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-5-yl]ethanamine
CID 103431949
N-ethyl-1-[5-(4-nitrophenyl)sulfanyl-2-pyridinyl]ethanamine
CID 83111048
5-(1-chloroethyl)-4-methyl-2-(2-methyl-5-nitrophenyl)pyrimidine
CID 62771216
1-[2-methyl-6-(4-nitrophenyl)-3-pyridinyl]ethanol
CID 66490091
N-ethyl-1-[2-(2-methyl-5-nitrophenyl)-1,3-thiazol-4-yl]ethanamine
CID 64545097
1-[2-(4-nitrophenyl)pyrimidin-4-yl]propan-2-amine
CID 62746794
N-ethyl-1-[5-(4-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181699
N-ethyl-1-[5-(3-methyl-4-nitrophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181397
2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide
CID 62770494
N-ethyl-1-[1-[2-(4-nitrophenyl)ethyl]tetrazol-5-yl]ethanamine
CID 103085672
4-methyl-2-(4-nitrophenyl)quinazoline
CID 742061

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-methyl-2-(4-nitrophenyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[4-methyl-2-(4-nitrophenyl)pyrimidin-5-yl]ethanamine (CID 62771904) is N-ethyl-1-[4-methyl-2-(4-nitrophenyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-methyl-2-(4-nitrophenyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-methyl-2-(4-nitrophenyl)pyrimidin-5-yl]ethanamine is CCNC(C)c1cnc(-c2ccc([N+](=O)[O-])cc2)nc1C.
What is the InChIKey of N-ethyl-1-[4-methyl-2-(4-nitrophenyl)pyrimidin-5-yl]ethanamine?
The InChIKey is QMJGBGQXIQDUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-4-16-10(2)14-9-17-15(18-11(14)3)12-5-7-13(8-6-12)19(20)21/h5-10,16H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[4-methyl-2-(4-nitrophenyl)pyrimidin-5-yl]ethanamine?
N-ethyl-1-[4-methyl-2-(4-nitrophenyl)pyrimidin-5-yl]ethanamine has a molecular weight of 286.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-methyl-2-(4-nitrophenyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 62771904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).