2-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-amine

C16H21N3O2 — CID 62192255

IUPAC2-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-amine
SMILESCCc1c(C)nc(Cc2ccc(OC)c(OC)c2)nc1N
InChIInChI=1S/C16H21N3O2/c1-5-12-10(2)18-15(19-16(12)17)9-11-6-7-13(20-3)14(8-11)21-4/h6-8H,5,9H2,1-4H3,(H2,17,18,19)
InChIKeySKBVQNBKMMXCTB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.54
Rot. Bonds5

About 2-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-amine

2-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-amine (PubChem CID 62192255) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-amine
PubChem CID62192255
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-amine
SMILESCCc1c(C)nc(Cc2ccc(OC)c(OC)c2)nc1N
InChIInChI=1S/C16H21N3O2/c1-5-12-10(2)18-15(19-16(12)17)9-11-6-7-13(20-3)14(8-11)21-4/h6-8H,5,9H2,1-4H3,(H2,17,18,19)
InChIKeySKBVQNBKMMXCTB-UHFFFAOYSA-N
XLogP2.54
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-5-ethyl-6-methylpyrimidin-4-amine
CID 62191896
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine
CID 60995827
2-[(3,4-dimethoxyphenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 62192366
6-[(3,4-dimethoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 161274505
2-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 175141573
2-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-6-nitroquinazolin-4-amine
CID 175764396
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-6-ethoxypyrimidine
CID 82169576
ethyl 3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxylate
CID 63357944
5-ethyl-6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-amine
CID 62693645
5-ethyl-4-methoxy-6-methylpyridin-2-amine
CID 118491454
5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole
CID 684046
5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole
CID 46318449

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-amine (CID 62192255) is 2-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-amine is CCc1c(C)nc(Cc2ccc(OC)c(OC)c2)nc1N.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is SKBVQNBKMMXCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-12-10(2)18-15(19-16(12)17)9-11-6-7-13(20-3)14(8-11)21-4/h6-8H,5,9H2,1-4H3,(H2,17,18,19).
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-amine?
2-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 62192255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).