N-benzyl-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

C17H15ClN4 — CID 23767908

IUPACN-benzyl-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCc2ccccc2)c1Cl
InChIInChI=1S/C17H15ClN4/c1-12-15(18)17(20-11-13-7-3-2-4-8-13)22-16(21-12)14-9-5-6-10-19-14/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeyZIMZZASIQVXNOR-UHFFFAOYSA-N
MW310.79 g/mol
LogP4.11
Rot. Bonds4

About N-benzyl-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

N-benzyl-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 23767908) has the molecular formula C17H15ClN4 and a molecular weight of 310.79 g/mol. Its IUPAC name is N-benzyl-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID23767908
Molecular FormulaC17H15ClN4
Molecular Weight310.79 g/mol
Exact Mass310.10
IUPAC NameN-benzyl-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccccn2)nc(NCc2ccccc2)c1Cl
InChIInChI=1S/C17H15ClN4/c1-12-15(18)17(20-11-13-7-3-2-4-8-13)22-16(21-12)14-9-5-6-10-19-14/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeyZIMZZASIQVXNOR-UHFFFAOYSA-N
XLogP4.11
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine (CID 23767908) is N-benzyl-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is Cc1nc(-c2ccccn2)nc(NCc2ccccc2)c1Cl.
What is the InChIKey of N-benzyl-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is ZIMZZASIQVXNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4/c1-12-15(18)17(20-11-13-7-3-2-4-8-13)22-16(21-12)14-9-5-6-10-19-14/h2-10H,11H2,1H3,(H,20,21,22).
What are the key properties of N-benzyl-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine?
N-benzyl-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 310.79 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 23767908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).