5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine

C16H22N4O — CID 80779291

IUPAC5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1N(C)Cc1ccccc1OC
InChIInChI=1S/C16H22N4O/c1-5-13-15(17-2)18-11-19-16(13)20(3)10-12-8-6-7-9-14(12)21-4/h6-9,11H,5,10H2,1-4H3,(H,17,18,19)
InChIKeyYJQGVTHGKKRSFL-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.73
Rot. Bonds6

About 5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine

5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine (PubChem CID 80779291) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
PubChem CID80779291
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1N(C)Cc1ccccc1OC
InChIInChI=1S/C16H22N4O/c1-5-13-15(17-2)18-11-19-16(13)20(3)10-12-8-6-7-9-14(12)21-4/h6-9,11H,5,10H2,1-4H3,(H,17,18,19)
InChIKeyYJQGVTHGKKRSFL-UHFFFAOYSA-N
XLogP2.73
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(2-methoxyphenyl)methyl]-N-methyl-5-propylpyrimidin-4-amine
CID 63728101
5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80780940
4-N-[(4-bromophenyl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80793896
5-ethyl-6-hydrazinyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 80908314
5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80815897
5-ethyl-4-N,6-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80838548
3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418333
N-ethyl-2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80804475
4-N-[(5-bromothiophen-3-yl)methyl]-5-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80804664
4-N-[(2-methoxyphenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 78929848
4-N,6-N-dimethyl-5-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80788386
6-[(2-chlorophenyl)methoxy]-5-ethyl-N-methylpyrimidin-4-amine
CID 80859300

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine (CID 80779291) is 5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine is CCc1c(NC)ncnc1N(C)Cc1ccccc1OC.
What is the InChIKey of 5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is YJQGVTHGKKRSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-13-15(17-2)18-11-19-16(13)20(3)10-12-8-6-7-9-14(12)21-4/h6-9,11H,5,10H2,1-4H3,(H,17,18,19).
What are the key properties of 5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[(2-methoxyphenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80779291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).