6-[(2-fluorophenyl)methoxy]-2-propylpyrimidin-4-amine

C14H16FN3O — CID 80950511

IUPAC6-[(2-fluorophenyl)methoxy]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(OCc2ccccc2F)n1
InChIInChI=1S/C14H16FN3O/c1-2-5-13-17-12(16)8-14(18-13)19-9-10-6-3-4-7-11(10)15/h3-4,6-8H,2,5,9H2,1H3,(H2,16,17,18)
InChIKeyPMKWUMMHGYLVEQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.73
Rot. Bonds5

About 6-[(2-fluorophenyl)methoxy]-2-propylpyrimidin-4-amine

6-[(2-fluorophenyl)methoxy]-2-propylpyrimidin-4-amine (PubChem CID 80950511) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methoxy]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methoxy]-2-propylpyrimidin-4-amine
PubChem CID80950511
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name6-[(2-fluorophenyl)methoxy]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)cc(OCc2ccccc2F)n1
InChIInChI=1S/C14H16FN3O/c1-2-5-13-17-12(16)8-14(18-13)19-9-10-6-3-4-7-11(10)15/h3-4,6-8H,2,5,9H2,1H3,(H2,16,17,18)
InChIKeyPMKWUMMHGYLVEQ-UHFFFAOYSA-N
XLogP2.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methoxy]-2-propylpyrimidin-4-amine?
The IUPAC name of 6-[(2-fluorophenyl)methoxy]-2-propylpyrimidin-4-amine (CID 80950511) is 6-[(2-fluorophenyl)methoxy]-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2-fluorophenyl)methoxy]-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-[(2-fluorophenyl)methoxy]-2-propylpyrimidin-4-amine is CCCc1nc(N)cc(OCc2ccccc2F)n1.
What is the InChIKey of 6-[(2-fluorophenyl)methoxy]-2-propylpyrimidin-4-amine?
The InChIKey is PMKWUMMHGYLVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-2-5-13-17-12(16)8-14(18-13)19-9-10-6-3-4-7-11(10)15/h3-4,6-8H,2,5,9H2,1H3,(H2,16,17,18).
What are the key properties of 6-[(2-fluorophenyl)methoxy]-2-propylpyrimidin-4-amine?
6-[(2-fluorophenyl)methoxy]-2-propylpyrimidin-4-amine has a molecular weight of 261.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methoxy]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80950511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).