5-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine

C16H13ClFN5 — CID 4667754

IUPAC5-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine
SMILESNc1nc(-c2ccccn2)nc(N)c1Cc1c(F)cccc1Cl
InChIInChI=1S/C16H13ClFN5/c17-11-4-3-5-12(18)9(11)8-10-14(19)22-16(23-15(10)20)13-6-1-2-7-21-13/h1-7H,8H2,(H4,19,20,22,23)
InChIKeyKTFNZBKMYDBHNZ-UHFFFAOYSA-N
MW329.77 g/mol
LogP3.09
Rot. Bonds3

About 5-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine

5-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine (PubChem CID 4667754) has the molecular formula C16H13ClFN5 and a molecular weight of 329.77 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine
PubChem CID4667754
Molecular FormulaC16H13ClFN5
Molecular Weight329.77 g/mol
Exact Mass329.08
IUPAC Name5-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine
SMILESNc1nc(-c2ccccn2)nc(N)c1Cc1c(F)cccc1Cl
InChIInChI=1S/C16H13ClFN5/c17-11-4-3-5-12(18)9(11)8-10-14(19)22-16(23-15(10)20)13-6-1-2-7-21-13/h1-7H,8H2,(H4,19,20,22,23)
InChIKeyKTFNZBKMYDBHNZ-UHFFFAOYSA-N
XLogP3.09
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine (CID 4667754) is 5-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine is Nc1nc(-c2ccccn2)nc(N)c1Cc1c(F)cccc1Cl.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine?
The InChIKey is KTFNZBKMYDBHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5/c17-11-4-3-5-12(18)9(11)8-10-14(19)22-16(23-15(10)20)13-6-1-2-7-21-13/h1-7H,8H2,(H4,19,20,22,23).
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine?
5-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine has a molecular weight of 329.77 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 4667754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).