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

C18H16Cl2N4 — CID 44591370

IUPAC5-chloro-N-[2-(2-chlorophenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCCc2ccccc2Cl)c1Cl
InChIInChI=1S/C18H16Cl2N4/c1-12-16(20)18(22-11-9-13-6-2-3-7-14(13)19)24-17(23-12)15-8-4-5-10-21-15/h2-8,10H,9,11H2,1H3,(H,22,23,24)
InChIKeyLYFDMRFVCJJAIV-UHFFFAOYSA-N
MW359.26 g/mol
LogP4.81
Rot. Bonds5

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

5-chloro-N-[2-(2-chlorophenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 44591370) has the molecular formula C18H16Cl2N4 and a molecular weight of 359.26 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-chlorophenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(2-chlorophenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID44591370
Molecular FormulaC18H16Cl2N4
Molecular Weight359.26 g/mol
Exact Mass358.08
IUPAC Name5-chloro-N-[2-(2-chlorophenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCCc2ccccc2Cl)c1Cl
InChIInChI=1S/C18H16Cl2N4/c1-12-16(20)18(22-11-9-13-6-2-3-7-14(13)19)24-17(23-12)15-8-4-5-10-21-15/h2-8,10H,9,11H2,1H3,(H,22,23,24)
InChIKeyLYFDMRFVCJJAIV-UHFFFAOYSA-N
XLogP4.81
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-chlorophenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[2-(2-chlorophenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (CID 44591370) is 5-chloro-N-[2-(2-chlorophenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[2-(2-chlorophenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[2-(2-chlorophenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is Cc1nc(-c2ccccn2)nc(NCCc2ccccc2Cl)c1Cl.
What is the InChIKey of 5-chloro-N-[2-(2-chlorophenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is LYFDMRFVCJJAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4/c1-12-16(20)18(22-11-9-13-6-2-3-7-14(13)19)24-17(23-12)15-8-4-5-10-21-15/h2-8,10H,9,11H2,1H3,(H,22,23,24).
What are the key properties of 5-chloro-N-[2-(2-chlorophenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
5-chloro-N-[2-(2-chlorophenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 359.26 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-chlorophenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 44591370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).