N-methyl-2-(2-methyl-5-nitrophenyl)-6-propylpyrimidin-4-amine

C15H18N4O2 — CID 62190372

IUPACN-methyl-2-(2-methyl-5-nitrophenyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(-c2cc([N+](=O)[O-])ccc2C)n1
InChIInChI=1S/C15H18N4O2/c1-4-5-11-8-14(16-3)18-15(17-11)13-9-12(19(20)21)7-6-10(13)2/h6-9H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyOUJOMZHJFCKXIL-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.35
Rot. Bonds5

About N-methyl-2-(2-methyl-5-nitrophenyl)-6-propylpyrimidin-4-amine

N-methyl-2-(2-methyl-5-nitrophenyl)-6-propylpyrimidin-4-amine (PubChem CID 62190372) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-5-nitrophenyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-5-nitrophenyl)-6-propylpyrimidin-4-amine
PubChem CID62190372
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-methyl-2-(2-methyl-5-nitrophenyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(-c2cc([N+](=O)[O-])ccc2C)n1
InChIInChI=1S/C15H18N4O2/c1-4-5-11-8-14(16-3)18-15(17-11)13-9-12(19(20)21)7-6-10(13)2/h6-9H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyOUJOMZHJFCKXIL-UHFFFAOYSA-N
XLogP3.35
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.35
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-5-nitrophenyl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-methyl-2-(2-methyl-5-nitrophenyl)-6-propylpyrimidin-4-amine (CID 62190372) is N-methyl-2-(2-methyl-5-nitrophenyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(2-methyl-5-nitrophenyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(2-methyl-5-nitrophenyl)-6-propylpyrimidin-4-amine is CCCc1cc(NC)nc(-c2cc([N+](=O)[O-])ccc2C)n1.
What is the InChIKey of N-methyl-2-(2-methyl-5-nitrophenyl)-6-propylpyrimidin-4-amine?
The InChIKey is OUJOMZHJFCKXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-4-5-11-8-14(16-3)18-15(17-11)13-9-12(19(20)21)7-6-10(13)2/h6-9H,4-5H2,1-3H3,(H,16,17,18).
What are the key properties of N-methyl-2-(2-methyl-5-nitrophenyl)-6-propylpyrimidin-4-amine?
N-methyl-2-(2-methyl-5-nitrophenyl)-6-propylpyrimidin-4-amine has a molecular weight of 286.33 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-5-nitrophenyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 62190372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).