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

C13H16N4O — CID 66332086

IUPACN-[2-(aminomethyl)phenyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(Nc2ccccc2CN)nc(C)n1
InChIInChI=1S/C13H16N4O/c1-9-15-12(7-13(16-9)18-2)17-11-6-4-3-5-10(11)8-14/h3-7H,8,14H2,1-2H3,(H,15,16,17)
InChIKeyWEKMZZNYRDRIGW-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.00
Rot. Bonds4

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

N-[2-(aminomethyl)phenyl]-6-methoxy-2-methylpyrimidin-4-amine (PubChem CID 66332086) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-6-methoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-6-methoxy-2-methylpyrimidin-4-amine
PubChem CID66332086
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[2-(aminomethyl)phenyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(Nc2ccccc2CN)nc(C)n1
InChIInChI=1S/C13H16N4O/c1-9-15-12(7-13(16-9)18-2)17-11-6-4-3-5-10(11)8-14/h3-7H,8,14H2,1-2H3,(H,15,16,17)
InChIKeyWEKMZZNYRDRIGW-UHFFFAOYSA-N
XLogP2.00
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpyrimidin-4-amine
CID 121013131
N-[2-(aminomethyl)phenyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 63760130
N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331237
4-N-(2-ethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872848
N-[1-[4-(aminomethyl)phenyl]ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331236
4-[2-(aminomethyl)anilino]-2-ethyl-1H-pyrimidin-6-one
CID 137008361
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112874991
6-methoxy-4-N-(2-methyl-3-pyridinyl)pyrimidine-2,4-diamine
CID 114053194
3-bromo-4-[(6-methoxy-2-methylpyrimidin-4-yl)amino]benzoic acid
CID 66333268
N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide
CID 25035779
4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112868692
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]ethanol
CID 66325251

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-6-methoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(aminomethyl)phenyl]-6-methoxy-2-methylpyrimidin-4-amine (CID 66332086) is N-[2-(aminomethyl)phenyl]-6-methoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-6-methoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-6-methoxy-2-methylpyrimidin-4-amine is COc1cc(Nc2ccccc2CN)nc(C)n1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-6-methoxy-2-methylpyrimidin-4-amine?
The InChIKey is WEKMZZNYRDRIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-15-12(7-13(16-9)18-2)17-11-6-4-3-5-10(11)8-14/h3-7H,8,14H2,1-2H3,(H,15,16,17).
What are the key properties of N-[2-(aminomethyl)phenyl]-6-methoxy-2-methylpyrimidin-4-amine?
N-[2-(aminomethyl)phenyl]-6-methoxy-2-methylpyrimidin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-6-methoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66332086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).