N-[[2-(aminomethyl)phenyl]methyl]-4-methoxy-N,6-dimethylpyrimidin-2-amine

C15H20N4O — CID 115973315

IUPACN-[[2-(aminomethyl)phenyl]methyl]-4-methoxy-N,6-dimethylpyrimidin-2-amine
SMILESCOc1cc(C)nc(N(C)Cc2ccccc2CN)n1
InChIInChI=1S/C15H20N4O/c1-11-8-14(20-3)18-15(17-11)19(2)10-13-7-5-4-6-12(13)9-16/h4-8H,9-10,16H2,1-3H3
InChIKeyMAUONKBZMPEFMB-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.89
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-4-methoxy-N,6-dimethylpyrimidin-2-amine

N-[[2-(aminomethyl)phenyl]methyl]-4-methoxy-N,6-dimethylpyrimidin-2-amine (PubChem CID 115973315) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-4-methoxy-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-4-methoxy-N,6-dimethylpyrimidin-2-amine
PubChem CID115973315
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-4-methoxy-N,6-dimethylpyrimidin-2-amine
SMILESCOc1cc(C)nc(N(C)Cc2ccccc2CN)n1
InChIInChI=1S/C15H20N4O/c1-11-8-14(20-3)18-15(17-11)19(2)10-13-7-5-4-6-12(13)9-16/h4-8H,9-10,16H2,1-3H3
InChIKeyMAUONKBZMPEFMB-UHFFFAOYSA-N
XLogP1.89
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-4-methoxy-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-4-methoxy-N,6-dimethylpyrimidin-2-amine (CID 115973315) is N-[[2-(aminomethyl)phenyl]methyl]-4-methoxy-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-4-methoxy-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-4-methoxy-N,6-dimethylpyrimidin-2-amine is COc1cc(C)nc(N(C)Cc2ccccc2CN)n1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-4-methoxy-N,6-dimethylpyrimidin-2-amine?
The InChIKey is MAUONKBZMPEFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-8-14(20-3)18-15(17-11)19(2)10-13-7-5-4-6-12(13)9-16/h4-8H,9-10,16H2,1-3H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-4-methoxy-N,6-dimethylpyrimidin-2-amine?
N-[[2-(aminomethyl)phenyl]methyl]-4-methoxy-N,6-dimethylpyrimidin-2-amine has a molecular weight of 272.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-4-methoxy-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 115973315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).