N-ethyl-5-methyl-4-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine

C14H16N4O3 — CID 80879033

IUPACN-ethyl-5-methyl-4-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine
SMILESCCNc1ncc(C)c(Oc2cc(C)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C14H16N4O3/c1-4-15-14-16-8-10(3)13(17-14)21-12-7-9(2)5-6-11(12)18(19)20/h5-8H,4H2,1-3H3,(H,15,16,17)
InChIKeyNXZWMRJOQLYCOT-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.23
Rot. Bonds5

About N-ethyl-5-methyl-4-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine

N-ethyl-5-methyl-4-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine (PubChem CID 80879033) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-ethyl-5-methyl-4-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-4-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine
PubChem CID80879033
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-ethyl-5-methyl-4-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine
SMILESCCNc1ncc(C)c(Oc2cc(C)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C14H16N4O3/c1-4-15-14-16-8-10(3)13(17-14)21-12-7-9(2)5-6-11(12)18(19)20/h5-8H,4H2,1-3H3,(H,15,16,17)
InChIKeyNXZWMRJOQLYCOT-UHFFFAOYSA-N
XLogP3.23
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.23
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

4-(5-chloro-2-nitrophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80880446
N-ethyl-4-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-2-amine
CID 80881136
4-(5-chloro-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80873875
N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
CID 80881682
5-bromo-N-ethyl-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
CID 80875914
4-(4-ethyl-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80871267
N-ethyl-6-(2-fluoro-5-methylphenoxy)-5-nitropyridin-2-amine
CID 80870908
N-ethyl-5-fluoro-4-(2-methyl-3-nitrophenoxy)pyrimidin-2-amine
CID 80875908
4-(2-chloro-4-methylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80880647
4-(2-chlorophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864516
6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine
CID 102749610

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-4-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-methyl-4-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine (CID 80879033) is N-ethyl-5-methyl-4-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-methyl-4-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-methyl-4-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine is CCNc1ncc(C)c(Oc2cc(C)ccc2[N+](=O)[O-])n1.
What is the InChIKey of N-ethyl-5-methyl-4-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine?
The InChIKey is NXZWMRJOQLYCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-4-15-14-16-8-10(3)13(17-14)21-12-7-9(2)5-6-11(12)18(19)20/h5-8H,4H2,1-3H3,(H,15,16,17).
What are the key properties of N-ethyl-5-methyl-4-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine?
N-ethyl-5-methyl-4-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine has a molecular weight of 288.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-4-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80879033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).