N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine

C14H17N3O — CID 171327101

IUPACN-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
SMILESCOc1ccccc1CN(C)c1ncc(C)cn1
InChIInChI=1S/C14H17N3O/c1-11-8-15-14(16-9-11)17(2)10-12-6-4-5-7-13(12)18-3/h4-9H,10H2,1-3H3
InChIKeyJLLLXPDXVVONKD-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.43
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine

N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine (PubChem CID 171327101) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
PubChem CID171327101
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
SMILESCOc1ccccc1CN(C)c1ncc(C)cn1
InChIInChI=1S/C14H17N3O/c1-11-8-15-14(16-9-11)17(2)10-12-6-4-5-7-13(12)18-3/h4-9H,10H2,1-3H3
InChIKeyJLLLXPDXVVONKD-UHFFFAOYSA-N
XLogP2.43
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171701097
4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 107541722
2-[(2-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbothioamide
CID 107546787
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 171324166
3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418333
5-[(2-methoxyphenyl)methyl-methylamino]pyridine-2-carbonitrile
CID 79838727
5-(chloromethyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418221
N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328176
5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80630731
4-(aminomethyl)-5-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 114925953
6-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyrazin-2-amine
CID 54940770
6-chloro-N-[(2-methoxyphenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
CID 63271464

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine (CID 171327101) is N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine is COc1ccccc1CN(C)c1ncc(C)cn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine?
The InChIKey is JLLLXPDXVVONKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-8-15-14(16-9-11)17(2)10-12-6-4-5-7-13(12)18-3/h4-9H,10H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine?
N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 171327101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).