5-chloro-6-methyl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

C17H16ClN5 — CID 44591392

IUPAC5-chloro-6-methyl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCCc2ccncc2)c1Cl
InChIInChI=1S/C17H16ClN5/c1-12-15(18)17(21-11-7-13-5-9-19-10-6-13)23-16(22-12)14-4-2-3-8-20-14/h2-6,8-10H,7,11H2,1H3,(H,21,22,23)
InChIKeyKDZKKGYAJSBIOG-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.55
Rot. Bonds5

About 5-chloro-6-methyl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

5-chloro-6-methyl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (PubChem CID 44591392) has the molecular formula C17H16ClN5 and a molecular weight of 325.80 g/mol. Its IUPAC name is 5-chloro-6-methyl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
PubChem CID44591392
Molecular FormulaC17H16ClN5
Molecular Weight325.80 g/mol
Exact Mass325.11
IUPAC Name5-chloro-6-methyl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCCc2ccncc2)c1Cl
InChIInChI=1S/C17H16ClN5/c1-12-15(18)17(21-11-7-13-5-9-19-10-6-13)23-16(22-12)14-4-2-3-8-20-14/h2-6,8-10H,7,11H2,1H3,(H,21,22,23)
InChIKeyKDZKKGYAJSBIOG-UHFFFAOYSA-N
XLogP3.55
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-methyl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (CID 44591392) is 5-chloro-6-methyl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-methyl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-methyl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is Cc1nc(-c2ccccn2)nc(NCCc2ccncc2)c1Cl.
What is the InChIKey of 5-chloro-6-methyl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is KDZKKGYAJSBIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5/c1-12-15(18)17(21-11-7-13-5-9-19-10-6-13)23-16(22-12)14-4-2-3-8-20-14/h2-6,8-10H,7,11H2,1H3,(H,21,22,23).
What are the key properties of 5-chloro-6-methyl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
5-chloro-6-methyl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 325.80 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-2-pyridin-2-yl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 44591392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).