6-chloro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine

C11H9ClFN3 — CID 22309489

IUPAC6-chloro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine
SMILESFc1cccc(CNc2cc(Cl)ncn2)c1
InChIInChI=1S/C11H9ClFN3/c12-10-5-11(16-7-15-10)14-6-8-2-1-3-9(13)4-8/h1-5,7H,6H2,(H,14,15,16)
InChIKeyVDISMECIKXWREB-UHFFFAOYSA-N
MW237.67 g/mol
LogP2.88
Rot. Bonds3

About 6-chloro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine

6-chloro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine (PubChem CID 22309489) has the molecular formula C11H9ClFN3 and a molecular weight of 237.67 g/mol. Its IUPAC name is 6-chloro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine
PubChem CID22309489
Molecular FormulaC11H9ClFN3
Molecular Weight237.67 g/mol
Exact Mass237.05
IUPAC Name6-chloro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine
SMILESFc1cccc(CNc2cc(Cl)ncn2)c1
InChIInChI=1S/C11H9ClFN3/c12-10-5-11(16-7-15-10)14-6-8-2-1-3-9(13)4-8/h1-5,7H,6H2,(H,14,15,16)
InChIKeyVDISMECIKXWREB-UHFFFAOYSA-N
XLogP2.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.67
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine (CID 22309489) is 6-chloro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine is Fc1cccc(CNc2cc(Cl)ncn2)c1.
What is the InChIKey of 6-chloro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine?
The InChIKey is VDISMECIKXWREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3/c12-10-5-11(16-7-15-10)14-6-8-2-1-3-9(13)4-8/h1-5,7H,6H2,(H,14,15,16).
What are the key properties of 6-chloro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine?
6-chloro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine has a molecular weight of 237.67 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 22309489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).