N-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine

C15H20N4O — CID 66331236

IUPACN-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NC(C)c2ccc(CN)cc2)nc(C)n1
InChIInChI=1S/C15H20N4O/c1-10(13-6-4-12(9-16)5-7-13)17-14-8-15(20-3)19-11(2)18-14/h4-8,10H,9,16H2,1-3H3,(H,17,18,19)
InChIKeyVHFCGBPLXAIVCJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.43
Rot. Bonds5

About N-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine

N-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine (PubChem CID 66331236) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine
PubChem CID66331236
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NC(C)c2ccc(CN)cc2)nc(C)n1
InChIInChI=1S/C15H20N4O/c1-10(13-6-4-12(9-16)5-7-13)17-14-8-15(20-3)19-11(2)18-14/h4-8,10H,9,16H2,1-3H3,(H,17,18,19)
InChIKeyVHFCGBPLXAIVCJ-UHFFFAOYSA-N
XLogP2.43
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine (CID 66331236) is N-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine is COc1cc(NC(C)c2ccc(CN)cc2)nc(C)n1.
What is the InChIKey of N-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine?
The InChIKey is VHFCGBPLXAIVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(13-6-4-12(9-16)5-7-13)17-14-8-15(20-3)19-11(2)18-14/h4-8,10H,9,16H2,1-3H3,(H,17,18,19).
What are the key properties of N-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine?
N-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine has a molecular weight of 272.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66331236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).