N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine

C16H21N3O2 — CID 133423616

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine
SMILESCCN(Cc1ccc(OC)c(OC)c1)c1ncc(C)cn1
InChIInChI=1S/C16H21N3O2/c1-5-19(16-17-9-12(2)10-18-16)11-13-6-7-14(20-3)15(8-13)21-4/h6-10H,5,11H2,1-4H3
InChIKeyLAPISZADCDNDDH-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.83
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine (PubChem CID 133423616) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine
PubChem CID133423616
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine
SMILESCCN(Cc1ccc(OC)c(OC)c1)c1ncc(C)cn1
InChIInChI=1S/C16H21N3O2/c1-5-19(16-17-9-12(2)10-18-16)11-13-6-7-14(20-3)15(8-13)21-4/h6-10H,5,11H2,1-4H3
InChIKeyLAPISZADCDNDDH-UHFFFAOYSA-N
XLogP2.83
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine
CID 133383927
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
CID 63208375
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-6-fluorobenzonitrile
CID 133383913
5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 133384195
N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethyl-4-methylaniline
CID 63456998
N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine
CID 133431166
4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol
CID 175433154
N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 54140133
N-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine
CID 167837344
1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 142063671
N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 779156
2,6-dichloro-4-N,4-N,8-N,8-N-tetrakis[(3,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 11457132

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine (CID 133423616) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine is CCN(Cc1ccc(OC)c(OC)c1)c1ncc(C)cn1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine?
The InChIKey is LAPISZADCDNDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-19(16-17-9-12(2)10-18-16)11-13-6-7-14(20-3)15(8-13)21-4/h6-10H,5,11H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine has a molecular weight of 287.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine is sourced from PubChem (CID 133423616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).