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

C19H20N4O2 — CID 53325827

IUPAC2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3cccnc3)nc(OC)n2)cc1
InChIInChI=1S/C19H20N4O2/c1-24-16-7-5-14(6-8-16)9-11-21-18-12-17(22-19(23-18)25-2)15-4-3-10-20-13-15/h3-8,10,12-13H,9,11H2,1-2H3,(H,21,22,23)
InChIKeyOUQPGYJVBNXCGA-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.21
Rot. Bonds7

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

2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine (PubChem CID 53325827) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine
PubChem CID53325827
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3cccnc3)nc(OC)n2)cc1
InChIInChI=1S/C19H20N4O2/c1-24-16-7-5-14(6-8-16)9-11-21-18-12-17(22-19(23-18)25-2)15-4-3-10-20-13-15/h3-8,10,12-13H,9,11H2,1-2H3,(H,21,22,23)
InChIKeyOUQPGYJVBNXCGA-UHFFFAOYSA-N
XLogP3.21
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
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CP-31398
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Evp4593
CID 509554
6-Ethyl-5-{3-[2-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149549
6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
Meriolin 3
CID 23727981
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine (CID 53325827) is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine is COc1ccc(CCNc2cc(-c3cccnc3)nc(OC)n2)cc1.
What is the InChIKey of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is OUQPGYJVBNXCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-24-16-7-5-14(6-8-16)9-11-21-18-12-17(22-19(23-18)25-2)15-4-3-10-20-13-15/h3-8,10,12-13H,9,11H2,1-2H3,(H,21,22,23).
What are the key properties of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine?
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 336.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 53325827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).