6-ethyl-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine

C13H15N5O2 — CID 68895396

IUPAC6-ethyl-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine
SMILESCCc1nc(N(C)c2ccccc2)nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C13H15N5O2/c1-3-10-11(18(19)20)12(14)16-13(15-10)17(2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyOAISKQVEEHJURR-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.30
Rot. Bonds4

About 6-ethyl-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine

6-ethyl-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 68895396) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-ethyl-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine
PubChem CID68895396
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name6-ethyl-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine
SMILESCCc1nc(N(C)c2ccccc2)nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C13H15N5O2/c1-3-10-11(18(19)20)12(14)16-13(15-10)17(2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyOAISKQVEEHJURR-UHFFFAOYSA-N
XLogP2.30
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.30
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

6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine
CID 40540393
2-chloro-6-ethyl-5-nitropyrimidin-4-amine
CID 131272646
6-ethyl-2-N-(2-methylphenyl)-5-nitropyrimidine-2,4-diamine
CID 68895391
2-amino-4-(N-methylanilino)-5-nitro-1H-pyrimidin-6-one
CID 136650976
4,6-dibenzyl-3-nitropyridine-2,5-diamine
CID 164532342
N-methyl-4-nitro-N-phenylaniline
CID 11287619
3-fluoro-N-methyl-2-nitro-N-phenylaniline
CID 62663622
2-N-benzyl-2-N-methyl-4-N-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
CID 3540152
3-nitro-4-pentylquinolin-2-amine
CID 67636144
6-[(2-bromophenyl)methyl]-5-nitropyrimidine-2,4-diamine
CID 91075958
4-N,6-N-diethyl-5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine
CID 23478131
6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80927617

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine (CID 68895396) is 6-ethyl-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine is CCc1nc(N(C)c2ccccc2)nc(N)c1[N+](=O)[O-].
What is the InChIKey of 6-ethyl-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is OAISKQVEEHJURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-3-10-11(18(19)20)12(14)16-13(15-10)17(2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-ethyl-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine?
6-ethyl-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 273.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 68895396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).