3-[(2,6-dichlorophenyl)methoxy]-5-fluoro-N-propyl-2H-pyrimidin-4-amine

C14H16Cl2FN3O — CID 118311874

IUPAC3-[(2,6-dichlorophenyl)methoxy]-5-fluoro-N-propyl-2H-pyrimidin-4-amine
SMILESCCCNC1=C(F)C=NCN1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2FN3O/c1-2-6-19-14-13(17)7-18-9-20(14)21-8-10-11(15)4-3-5-12(10)16/h3-5,7,19H,2,6,8-9H2,1H3
InChIKeyPBAFVRBFEYGULU-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.91
Rot. Bonds6

About 3-[(2,6-dichlorophenyl)methoxy]-5-fluoro-N-propyl-2H-pyrimidin-4-amine

3-[(2,6-dichlorophenyl)methoxy]-5-fluoro-N-propyl-2H-pyrimidin-4-amine (PubChem CID 118311874) has the molecular formula C14H16Cl2FN3O and a molecular weight of 332.21 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methoxy]-5-fluoro-N-propyl-2H-pyrimidin-4-amine.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methoxy]-5-fluoro-N-propyl-2H-pyrimidin-4-amine
PubChem CID118311874
Molecular FormulaC14H16Cl2FN3O
Molecular Weight332.21 g/mol
Exact Mass331.07
IUPAC Name3-[(2,6-dichlorophenyl)methoxy]-5-fluoro-N-propyl-2H-pyrimidin-4-amine
SMILESCCCNC1=C(F)C=NCN1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2FN3O/c1-2-6-19-14-13(17)7-18-9-20(14)21-8-10-11(15)4-3-5-12(10)16/h3-5,7,19H,2,6,8-9H2,1H3
InChIKeyPBAFVRBFEYGULU-UHFFFAOYSA-N
XLogP3.91
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methoxy]-5-fluoro-N-propyl-2H-pyrimidin-4-amine?
The IUPAC name of 3-[(2,6-dichlorophenyl)methoxy]-5-fluoro-N-propyl-2H-pyrimidin-4-amine (CID 118311874) is 3-[(2,6-dichlorophenyl)methoxy]-5-fluoro-N-propyl-2H-pyrimidin-4-amine.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methoxy]-5-fluoro-N-propyl-2H-pyrimidin-4-amine?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methoxy]-5-fluoro-N-propyl-2H-pyrimidin-4-amine is CCCNC1=C(F)C=NCN1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methoxy]-5-fluoro-N-propyl-2H-pyrimidin-4-amine?
The InChIKey is PBAFVRBFEYGULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2FN3O/c1-2-6-19-14-13(17)7-18-9-20(14)21-8-10-11(15)4-3-5-12(10)16/h3-5,7,19H,2,6,8-9H2,1H3.
What are the key properties of 3-[(2,6-dichlorophenyl)methoxy]-5-fluoro-N-propyl-2H-pyrimidin-4-amine?
3-[(2,6-dichlorophenyl)methoxy]-5-fluoro-N-propyl-2H-pyrimidin-4-amine has a molecular weight of 332.21 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methoxy]-5-fluoro-N-propyl-2H-pyrimidin-4-amine is sourced from PubChem (CID 118311874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).