N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methoxy-2-methylpyrimidin-4-amine

C16H20N4O — CID 66332674

IUPACN-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(N(Cc2ccccc2N)C2CC2)nc(C)n1
InChIInChI=1S/C16H20N4O/c1-11-18-15(9-16(19-11)21-2)20(13-7-8-13)10-12-5-3-4-6-14(12)17/h3-6,9,13H,7-8,10,17H2,1-2H3
InChIKeyILXBPCGFRRXSEN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.54
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methoxy-2-methylpyrimidin-4-amine

N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methoxy-2-methylpyrimidin-4-amine (PubChem CID 66332674) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methoxy-2-methylpyrimidin-4-amine
PubChem CID66332674
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(N(Cc2ccccc2N)C2CC2)nc(C)n1
InChIInChI=1S/C16H20N4O/c1-11-18-15(9-16(19-11)21-2)20(13-7-8-13)10-12-5-3-4-6-14(12)17/h3-6,9,13H,7-8,10,17H2,1-2H3
InChIKeyILXBPCGFRRXSEN-UHFFFAOYSA-N
XLogP2.54
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methoxy-2-methylpyrimidin-4-amine (CID 66332674) is N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methoxy-2-methylpyrimidin-4-amine is COc1cc(N(Cc2ccccc2N)C2CC2)nc(C)n1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methoxy-2-methylpyrimidin-4-amine?
The InChIKey is ILXBPCGFRRXSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-18-15(9-16(19-11)21-2)20(13-7-8-13)10-12-5-3-4-6-14(12)17/h3-6,9,13H,7-8,10,17H2,1-2H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methoxy-2-methylpyrimidin-4-amine?
N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methoxy-2-methylpyrimidin-4-amine has a molecular weight of 284.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66332674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).