4-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-2-amine

C14H16N4O3 — CID 80878871

IUPAC4-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Oc2cc([N+](=O)[O-])ccc2C)n1
InChIInChI=1S/C14H16N4O3/c1-3-7-15-14-16-8-6-13(17-14)21-12-9-11(18(19)20)5-4-10(12)2/h4-6,8-9H,3,7H2,1-2H3,(H,15,16,17)
InChIKeyNZJCZYYJPFVWBU-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.31
Rot. Bonds6

About 4-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-2-amine

4-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-2-amine (PubChem CID 80878871) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-2-amine
PubChem CID80878871
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name4-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Oc2cc([N+](=O)[O-])ccc2C)n1
InChIInChI=1S/C14H16N4O3/c1-3-7-15-14-16-8-6-13(17-14)21-12-9-11(18(19)20)5-4-10(12)2/h4-6,8-9H,3,7H2,1-2H3,(H,15,16,17)
InChIKeyNZJCZYYJPFVWBU-UHFFFAOYSA-N
XLogP3.31
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.31
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-(2-nitrophenoxy)-N-propylpyrimidin-2-amine
CID 80875415
6-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80878863
4-(2-bromo-4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80860263
4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80862544
2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine
CID 116797824
4-methoxy-N-(2-methyl-5-nitrophenyl)pyrimidin-2-amine
CID 57435898
N-methyl-1-[6-(2-methyl-5-nitrophenoxy)-3-pyridinyl]methanamine
CID 80633522
4-(5-bromo-2-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 114677390
4-(2-bromo-4-chlorophenoxy)-N-propylpyrimidin-2-amine
CID 80881715
5-chloro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 66233897
5-bromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 61373997
4-(2,5-dimethylpyrazol-3-yl)oxy-N-propylpyrimidin-2-amine
CID 81346031

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-2-amine (CID 80878871) is 4-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-2-amine is CCCNc1nccc(Oc2cc([N+](=O)[O-])ccc2C)n1.
What is the InChIKey of 4-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-2-amine?
The InChIKey is NZJCZYYJPFVWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-3-7-15-14-16-8-6-13(17-14)21-12-9-11(18(19)20)5-4-10(12)2/h4-6,8-9H,3,7H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-2-amine?
4-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-2-amine has a molecular weight of 288.31 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80878871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).