N-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-4-ylpyrimidin-4-amine

C19H20N4O — CID 123808204

IUPACN-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1cccc(C(C)Nc2cc(-c3ccncc3)nc(C)n2)c1
InChIInChI=1S/C19H20N4O/c1-13(16-5-4-6-17(11-16)24-3)21-19-12-18(22-14(2)23-19)15-7-9-20-10-8-15/h4-13H,1-3H3,(H,21,22,23)
InChIKeyWNKSHMMKHZKFKA-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.03
Rot. Bonds5

About N-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-4-ylpyrimidin-4-amine

N-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-4-ylpyrimidin-4-amine (PubChem CID 123808204) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-4-ylpyrimidin-4-amine
PubChem CID123808204
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-4-ylpyrimidin-4-amine
SMILESCOc1cccc(C(C)Nc2cc(-c3ccncc3)nc(C)n2)c1
InChIInChI=1S/C19H20N4O/c1-13(16-5-4-6-17(11-16)24-3)21-19-12-18(22-14(2)23-19)15-7-9-20-10-8-15/h4-13H,1-3H3,(H,21,22,23)
InChIKeyWNKSHMMKHZKFKA-UHFFFAOYSA-N
XLogP4.03
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 78076645
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 127037314
6-(3-methoxyphenyl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 175167535
6-(1-benzofuran-5-yl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 127035529
6-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 70978418
6-(3-methoxy-4-methylphenyl)-2-methyl-N-[1-[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethyl]pyrimidin-4-amine
CID 70977939
6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 66325049
N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 62047830
6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872053
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56891110
N-[1-(3-aminophenyl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66333286
2-[3-[1-[[2-methyl-6-(1-methylindol-6-yl)pyrimidin-4-yl]amino]ethyl]phenoxy]acetonitrile
CID 70977064

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-4-ylpyrimidin-4-amine (CID 123808204) is N-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-4-ylpyrimidin-4-amine is COc1cccc(C(C)Nc2cc(-c3ccncc3)nc(C)n2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is WNKSHMMKHZKFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13(16-5-4-6-17(11-16)24-3)21-19-12-18(22-14(2)23-19)15-7-9-20-10-8-15/h4-13H,1-3H3,(H,21,22,23).
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-4-ylpyrimidin-4-amine?
N-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 320.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-2-methyl-6-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 123808204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).