2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine

C13H16N4O — CID 61420405

IUPAC2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine
SMILESCOc1cccc(CN(C)c2ncc(N)cn2)c1
InChIInChI=1S/C13H16N4O/c1-17(13-15-7-11(14)8-16-13)9-10-4-3-5-12(6-10)18-2/h3-8H,9,14H2,1-2H3
InChIKeyWIUMWIFZQIPZJT-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.70
Rot. Bonds4

About 2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine

2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine (PubChem CID 61420405) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine
PubChem CID61420405
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine
SMILESCOc1cccc(CN(C)c2ncc(N)cn2)c1
InChIInChI=1S/C13H16N4O/c1-17(13-15-7-11(14)8-16-13)9-10-4-3-5-12(6-10)18-2/h3-8H,9,14H2,1-2H3
InChIKeyWIUMWIFZQIPZJT-UHFFFAOYSA-N
XLogP1.70
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 171328588
5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 61420357
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80794623
2-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 61418078
3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine
CID 105367764
2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63671838
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 75469574
2-[(3-methoxyphenyl)methyl-methylamino]-6-methylpyrimidine-4-carbothioamide
CID 107546784
4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 115468715
5-bromo-3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 103583219
5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 61420309

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine?
The IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine (CID 61420405) is 2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine?
The canonical SMILES for 2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine is COc1cccc(CN(C)c2ncc(N)cn2)c1.
What is the InChIKey of 2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine?
The InChIKey is WIUMWIFZQIPZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17(13-15-7-11(14)8-16-13)9-10-4-3-5-12(6-10)18-2/h3-8H,9,14H2,1-2H3.
What are the key properties of 2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine?
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine is sourced from PubChem (CID 61420405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).