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

C14H18N4O — CID 66331237

IUPACN-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCc2ccc(CN)cc2)nc(C)n1
InChIInChI=1S/C14H18N4O/c1-10-17-13(7-14(18-10)19-2)16-9-12-5-3-11(8-15)4-6-12/h3-7H,8-9,15H2,1-2H3,(H,16,17,18)
InChIKeyATZZMQYYYIYVKM-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.86
Rot. Bonds5

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

N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine (PubChem CID 66331237) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine
PubChem CID66331237
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NCc2ccc(CN)cc2)nc(C)n1
InChIInChI=1S/C14H18N4O/c1-10-17-13(7-14(18-10)19-2)16-9-12-5-3-11(8-15)4-6-12/h3-7H,8-9,15H2,1-2H3,(H,16,17,18)
InChIKeyATZZMQYYYIYVKM-UHFFFAOYSA-N
XLogP1.86
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326678
N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66325047
[3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 107232135
N-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331236
5-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 81099839
6-(2-methoxyethoxy)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 82454445
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80785216
N-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 55031927
6-methoxy-2-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
CID 66325472
N-[[3-(aminomethyl)phenyl]methyl]-6-methoxypyridin-2-amine
CID 63589651
2-methyl-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82454179
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]ethanol
CID 66325251

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine (CID 66331237) is N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine is COc1cc(NCc2ccc(CN)cc2)nc(C)n1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine?
The InChIKey is ATZZMQYYYIYVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-17-13(7-14(18-10)19-2)16-9-12-5-3-11(8-15)4-6-12/h3-7H,8-9,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine?
N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine has a molecular weight of 258.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66331237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).