N-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine

C16H21N3O — CID 171690653

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1cccc(CN(C)c2ccnc(C(C)C)n2)c1
InChIInChI=1S/C16H21N3O/c1-12(2)16-17-9-8-15(18-16)19(3)11-13-6-5-7-14(10-13)20-4/h5-10,12H,11H2,1-4H3
InChIKeyVUVBDAMDBPJNSH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.24
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine

N-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 171690653) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID171690653
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1cccc(CN(C)c2ccnc(C(C)C)n2)c1
InChIInChI=1S/C16H21N3O/c1-12(2)16-17-9-8-15(18-16)19(3)11-13-6-5-7-14(10-13)20-4/h5-10,12H,11H2,1-4H3
InChIKeyVUVBDAMDBPJNSH-UHFFFAOYSA-N
XLogP3.24
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 63962800
4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794833
4-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418126
2-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 60709004
4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80794623
6-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrazine-2,6-diamine
CID 78917983
2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 61418078
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66455869
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine
CID 61420405
5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 171328588
[6-[(3-methoxyphenyl)methyl-methylamino]pyridazin-3-yl]methanol
CID 61417756

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine (CID 171690653) is N-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine is COc1cccc(CN(C)c2ccnc(C(C)C)n2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is VUVBDAMDBPJNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)16-17-9-8-15(18-16)19(3)11-13-6-5-7-14(10-13)20-4/h5-10,12H,11H2,1-4H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine?
N-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 171690653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).