4-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine

C13H14N4O2 — CID 62958039

IUPAC4-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine
SMILESCc1ccnc(NCCc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C13H14N4O2/c1-10-6-8-14-13(16-10)15-9-7-11-2-4-12(5-3-11)17(18)19/h2-6,8H,7,9H2,1H3,(H,14,15,16)
InChIKeyZENJFSAAMGBYDQ-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.35
Rot. Bonds5

About 4-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine

4-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine (PubChem CID 62958039) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine
PubChem CID62958039
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine
SMILESCc1ccnc(NCCc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C13H14N4O2/c1-10-6-8-14-13(16-10)15-9-7-11-2-4-12(5-3-11)17(18)19/h2-6,8H,7,9H2,1H3,(H,14,15,16)
InChIKeyZENJFSAAMGBYDQ-UHFFFAOYSA-N
XLogP2.35
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.35
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-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine
CID 47350744
N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 55152107
2-N-[(4-nitrophenyl)methyl]pyrimidine-2,4-diamine
CID 116795542
5-methyl-N-[4-(4-nitrophenyl)butyl]pyrimidin-2-amine
CID 133418155
3-methyl-N-[2-(4-nitrophenyl)ethyl]isoquinolin-4-amine
CID 153370231
4-N-[2-(4-methylphenyl)ethyl]-2-N-[(1S)-1-(4-nitrophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 69021654
N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
CID 2849092
5-nitro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidin-2-amine
CID 133467110
N-[2-(4-nitrophenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65277207
2,3-dimethyl-N-[2-(4-nitrophenyl)ethyl]aniline
CID 43519963
N-[2-(4-nitrophenyl)ethyl]formamide
CID 64992334
4-methyl-N-[2-(2-phenylethoxy)ethyl]pyrimidin-2-amine
CID 133304713

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine (CID 62958039) is 4-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine is Cc1ccnc(NCCc2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 4-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine?
The InChIKey is ZENJFSAAMGBYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-10-6-8-14-13(16-10)15-9-7-11-2-4-12(5-3-11)17(18)19/h2-6,8H,7,9H2,1H3,(H,14,15,16).
What are the key properties of 4-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine?
4-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine has a molecular weight of 258.28 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 62958039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).