6-ethyl-2-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-4-amine

C16H21N3O — CID 63561150

IUPAC6-ethyl-2-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(Cc2cccc(OC)c2)nc(NC)c1C
InChIInChI=1S/C16H21N3O/c1-5-14-11(2)16(17-3)19-15(18-14)10-12-7-6-8-13(9-12)20-4/h6-9H,5,10H2,1-4H3,(H,17,18,19)
InChIKeyZBQSRKOPHFSNBR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.99
Rot. Bonds5

About 6-ethyl-2-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-4-amine

6-ethyl-2-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-4-amine (PubChem CID 63561150) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-ethyl-2-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-4-amine
PubChem CID63561150
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-ethyl-2-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(Cc2cccc(OC)c2)nc(NC)c1C
InChIInChI=1S/C16H21N3O/c1-5-14-11(2)16(17-3)19-15(18-14)10-12-7-6-8-13(9-12)20-4/h6-9H,5,10H2,1-4H3,(H,17,18,19)
InChIKeyZBQSRKOPHFSNBR-UHFFFAOYSA-N
XLogP2.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 66304459
6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 62319868
[6-ethyl-5-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]hydrazine
CID 63559686
N-ethyl-2-[(3-methoxyphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193116
6-ethyl-5-iodo-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301253
2-[(3,4-dichlorophenyl)methyl]-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63562496
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
6-ethyl-N,5-dimethyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine
CID 65143637
2-[(3,4-dimethoxyphenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 62192366
2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 61025987
methyl 4-amino-2-[(3-methoxyphenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647516
6-[(3-methoxyphenyl)methoxy]-N,5-dimethylpyrimidin-4-amine
CID 80867778

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-4-amine (CID 63561150) is 6-ethyl-2-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-4-amine is CCc1nc(Cc2cccc(OC)c2)nc(NC)c1C.
What is the InChIKey of 6-ethyl-2-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-4-amine?
The InChIKey is ZBQSRKOPHFSNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-14-11(2)16(17-3)19-15(18-14)10-12-7-6-8-13(9-12)20-4/h6-9H,5,10H2,1-4H3,(H,17,18,19).
What are the key properties of 6-ethyl-2-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-4-amine?
6-ethyl-2-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63561150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).