2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine

C14H16N4O3 — CID 80989485

IUPAC2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(Oc2ccc([N+](=O)[O-])c(C)c2)n1
InChIInChI=1S/C14H16N4O3/c1-4-12-16-13(15)9(3)14(17-12)21-10-5-6-11(18(19)20)8(2)7-10/h5-7H,4H2,1-3H3,(H2,15,16,17)
InChIKeyHQVNARVNMQHVEW-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.94
Rot. Bonds4

About 2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine

2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine (PubChem CID 80989485) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine
PubChem CID80989485
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(Oc2ccc([N+](=O)[O-])c(C)c2)n1
InChIInChI=1S/C14H16N4O3/c1-4-12-16-13(15)9(3)14(17-12)21-10-5-6-11(18(19)20)8(2)7-10/h5-7H,4H2,1-3H3,(H2,15,16,17)
InChIKeyHQVNARVNMQHVEW-UHFFFAOYSA-N
XLogP2.94
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.94
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-(5-chloro-2-nitrophenoxy)-2-ethyl-5-methylpyrimidin-4-amine
CID 80991124
2-ethyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
CID 80988500
6-(4-bromophenoxy)-2-ethyl-5-methylpyrimidin-4-amine
CID 80988867
4-ethyl-5-methyl-3-(3-methyl-4-nitrophenoxy)pyrazole-1-carboxamide
CID 91407459
2-ethyl-5-methyl-6-(3-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80989458
N-[[5,6-dimethyl-4-(3-methyl-4-nitrophenoxy)thieno[2,3-d]pyrimidin-2-yl]methyl]-N-ethylethanamine
CID 9340490
2-ethyl-5-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80988288
4-(3-methyl-4-nitrophenoxy)pyridin-2-amine
CID 23153294
[5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920169
4-chloro-2-ethyl-5-methyl-6-(4-methyl-2-nitrophenoxy)pyrimidine
CID 80974397
5-(3-methyl-4-nitrophenoxy)pyridin-3-amine
CID 104536614
2-methyl-4-(3-methylphenoxy)-1-nitrobenzene
CID 21071560

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine (CID 80989485) is 2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine is CCc1nc(N)c(C)c(Oc2ccc([N+](=O)[O-])c(C)c2)n1.
What is the InChIKey of 2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine?
The InChIKey is HQVNARVNMQHVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-4-12-16-13(15)9(3)14(17-12)21-10-5-6-11(18(19)20)8(2)7-10/h5-7H,4H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine?
2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine has a molecular weight of 288.31 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80989485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).