N,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine

C16H21N3O — CID 78845383

IUPACN,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine
SMILESCc1cccc(OCCN(C)c2nc(C)cc(C)n2)c1
InChIInChI=1S/C16H21N3O/c1-12-6-5-7-15(10-12)20-9-8-19(4)16-17-13(2)11-14(3)18-16/h5-7,10-11H,8-9H2,1-4H3
InChIKeySVEMHYZPWCSKMW-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.92
Rot. Bonds5

About N,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine

N,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine (PubChem CID 78845383) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine
PubChem CID78845383
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine
SMILESCc1cccc(OCCN(C)c2nc(C)cc(C)n2)c1
InChIInChI=1S/C16H21N3O/c1-12-6-5-7-15(10-12)20-9-8-19(4)16-17-13(2)11-14(3)18-16/h5-7,10-11H,8-9H2,1-4H3
InChIKeySVEMHYZPWCSKMW-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile
CID 26448932
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 133489848
N-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine
CID 5262030
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
N-[2-(3-aminophenoxy)ethyl]-N,3,5-trimethylaniline
CID 62001427
2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544497
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492
N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine
CID 26448919
2-[2-(3-methylphenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691972
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012

Frequently Asked Questions

What is the IUPAC name of N,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine?
The IUPAC name of N,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine (CID 78845383) is N,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine.
What is the SMILES notation for N,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine?
The canonical SMILES for N,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine is Cc1cccc(OCCN(C)c2nc(C)cc(C)n2)c1.
What is the InChIKey of N,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine?
The InChIKey is SVEMHYZPWCSKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-6-5-7-15(10-12)20-9-8-19(4)16-17-13(2)11-14(3)18-16/h5-7,10-11H,8-9H2,1-4H3.
What are the key properties of N,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine?
N,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 78845383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).