N-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine

C16H21N3O — CID 133288903

IUPACN-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
SMILESCCOc1ccccc1CCNc1cc(C)nc(C)n1
InChIInChI=1S/C16H21N3O/c1-4-20-15-8-6-5-7-14(15)9-10-17-16-11-12(2)18-13(3)19-16/h5-8,11H,4,9-10H2,1-3H3,(H,17,18,19)
InChIKeyRIPRWDQQQDCKGJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.15
Rot. Bonds6

About N-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine

N-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 133288903) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID133288903
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
SMILESCCOc1ccccc1CCNc1cc(C)nc(C)n1
InChIInChI=1S/C16H21N3O/c1-4-20-15-8-6-5-7-14(15)9-10-17-16-11-12(2)18-13(3)19-16/h5-8,11H,4,9-10H2,1-3H3,(H,17,18,19)
InChIKeyRIPRWDQQQDCKGJ-UHFFFAOYSA-N
XLogP3.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112867874
2-chloro-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 114165599
4-N-butan-2-yl-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112868258
2,6-dimethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 60725788
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910186
6-ethoxy-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 66326268
4-N-(4-ethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112874136
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112872453
6-(4-ethylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112870842
4-N-(2-ethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872848
3-[[2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]amino]-N-(2-phenoxyethyl)propanamide
CID 44527874
2-N-(4-chlorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920981

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine (CID 133288903) is N-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine is CCOc1ccccc1CCNc1cc(C)nc(C)n1.
What is the InChIKey of N-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is RIPRWDQQQDCKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-20-15-8-6-5-7-14(15)9-10-17-16-11-12(2)18-13(3)19-16/h5-8,11H,4,9-10H2,1-3H3,(H,17,18,19).
What are the key properties of N-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine?
N-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 133288903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).