N-[1-(3-aminophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine

C14H18N4O — CID 66333286

IUPACN-[1-(3-aminophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NC(C)c2cccc(N)c2)nc(C)n1
InChIInChI=1S/C14H18N4O/c1-9(11-5-4-6-12(15)7-11)16-13-8-14(19-3)18-10(2)17-13/h4-9H,15H2,1-3H3,(H,16,17,18)
InChIKeyFPUCLDJUMJNDHT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.55
Rot. Bonds4

About N-[1-(3-aminophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine

N-[1-(3-aminophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine (PubChem CID 66333286) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
PubChem CID66333286
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[1-(3-aminophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NC(C)c2cccc(N)c2)nc(C)n1
InChIInChI=1S/C14H18N4O/c1-9(11-5-4-6-12(15)7-11)16-13-8-14(19-3)18-10(2)17-13/h4-9H,15H2,1-3H3,(H,16,17,18)
InChIKeyFPUCLDJUMJNDHT-UHFFFAOYSA-N
XLogP2.55
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331236
6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 66325049
N-[1-(4-chlorophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326911
N-[1-(4-ethylphenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326076
N-[1-(furan-2-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66325662
N-[1-(3-aminophenyl)ethyl]pyridin-2-amine
CID 60869070
N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 62047830
N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80896965
N-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-4-ylpyrimidin-4-amine
CID 123808204
2-cyclopropyl-6-methoxy-N-(1-phenylethyl)pyrimidin-4-amine
CID 82456359
6-methoxy-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 114168104
6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 66324648

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine (CID 66333286) is N-[1-(3-aminophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine is COc1cc(NC(C)c2cccc(N)c2)nc(C)n1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine?
The InChIKey is FPUCLDJUMJNDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9(11-5-4-6-12(15)7-11)16-13-8-14(19-3)18-10(2)17-13/h4-9H,15H2,1-3H3,(H,16,17,18).
What are the key properties of N-[1-(3-aminophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine?
N-[1-(3-aminophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine has a molecular weight of 258.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66333286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).