N-[3-(aminomethyl)phenyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine

C14H18N4O2 — CID 115354827

IUPACN-[3-(aminomethyl)phenyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine
SMILESCOc1cc(OC)nc(N(C)c2cccc(CN)c2)n1
InChIInChI=1S/C14H18N4O2/c1-18(11-6-4-5-10(7-11)9-15)14-16-12(19-2)8-13(17-14)20-3/h4-8H,9,15H2,1-3H3
InChIKeyANQLSSIHFAPRKZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.72
Rot. Bonds5

About N-[3-(aminomethyl)phenyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine

N-[3-(aminomethyl)phenyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine (PubChem CID 115354827) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine
PubChem CID115354827
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[3-(aminomethyl)phenyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine
SMILESCOc1cc(OC)nc(N(C)c2cccc(CN)c2)n1
InChIInChI=1S/C14H18N4O2/c1-18(11-6-4-5-10(7-11)9-15)14-16-12(19-2)8-13(17-14)20-3/h4-8H,9,15H2,1-3H3
InChIKeyANQLSSIHFAPRKZ-UHFFFAOYSA-N
XLogP1.72
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(aminomethyl)-N-methylanilino]phenol
CID 107733668
3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline
CID 117029116
3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline
CID 102813812
N-[3-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
CID 117041527
3-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline
CID 62972038
N-[3-(aminomethyl)phenyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 65209484
N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115355307
N-[3-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304487
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline
CID 62971006
4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 107541879
N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline
CID 117029123
3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline
CID 117029128

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine?
The IUPAC name of N-[3-(aminomethyl)phenyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine (CID 115354827) is N-[3-(aminomethyl)phenyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine is COc1cc(OC)nc(N(C)c2cccc(CN)c2)n1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine?
The InChIKey is ANQLSSIHFAPRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18(11-6-4-5-10(7-11)9-15)14-16-12(19-2)8-13(17-14)20-3/h4-8H,9,15H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine?
N-[3-(aminomethyl)phenyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine has a molecular weight of 274.32 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine is sourced from PubChem (CID 115354827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).