5-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

C19H19ClN4O — CID 44591391

IUPAC5-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1ccc(CCNc2nc(-c3ccccn3)nc(C)c2Cl)cc1
InChIInChI=1S/C19H19ClN4O/c1-13-17(20)19(24-18(23-13)16-5-3-4-11-21-16)22-12-10-14-6-8-15(25-2)9-7-14/h3-9,11H,10,12H2,1-2H3,(H,22,23,24)
InChIKeyCUSVHTUVBISFTF-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.16
Rot. Bonds6

About 5-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

5-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 44591391) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID44591391
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name5-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1ccc(CCNc2nc(-c3ccccn3)nc(C)c2Cl)cc1
InChIInChI=1S/C19H19ClN4O/c1-13-17(20)19(24-18(23-13)16-5-3-4-11-21-16)22-12-10-14-6-8-15(25-2)9-7-14/h3-9,11H,10,12H2,1-2H3,(H,22,23,24)
InChIKeyCUSVHTUVBISFTF-UHFFFAOYSA-N
XLogP4.16
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (CID 44591391) is 5-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is COc1ccc(CCNc2nc(-c3ccccn3)nc(C)c2Cl)cc1.
What is the InChIKey of 5-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is CUSVHTUVBISFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-13-17(20)19(24-18(23-13)16-5-3-4-11-21-16)22-12-10-14-6-8-15(25-2)9-7-14/h3-9,11H,10,12H2,1-2H3,(H,22,23,24).
What are the key properties of 5-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
5-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 354.84 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 44591391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).