2-[(3,5-difluorophenyl)methyl]-5-fluoro-6-methyl-N-propylpyrimidin-4-amine

C15H16F3N3 — CID 66000005

IUPAC2-[(3,5-difluorophenyl)methyl]-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(Cc2cc(F)cc(F)c2)nc(C)c1F
InChIInChI=1S/C15H16F3N3/c1-3-4-19-15-14(18)9(2)20-13(21-15)7-10-5-11(16)8-12(17)6-10/h5-6,8H,3-4,7H2,1-2H3,(H,19,20,21)
InChIKeyRLBNIRZERPUTEX-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.62
Rot. Bonds5

About 2-[(3,5-difluorophenyl)methyl]-5-fluoro-6-methyl-N-propylpyrimidin-4-amine

2-[(3,5-difluorophenyl)methyl]-5-fluoro-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 66000005) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-5-fluoro-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
PubChem CID66000005
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name2-[(3,5-difluorophenyl)methyl]-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(Cc2cc(F)cc(F)c2)nc(C)c1F
InChIInChI=1S/C15H16F3N3/c1-3-4-19-15-14(18)9(2)20-13(21-15)7-10-5-11(16)8-12(17)6-10/h5-6,8H,3-4,7H2,1-2H3,(H,19,20,21)
InChIKeyRLBNIRZERPUTEX-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-5-fluoro-6-methyl-N-propylpyrimidin-4-amine (CID 66000005) is 2-[(3,5-difluorophenyl)methyl]-5-fluoro-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-5-fluoro-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(Cc2cc(F)cc(F)c2)nc(C)c1F.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is RLBNIRZERPUTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-3-4-19-15-14(18)9(2)20-13(21-15)7-10-5-11(16)8-12(17)6-10/h5-6,8H,3-4,7H2,1-2H3,(H,19,20,21).
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-5-fluoro-6-methyl-N-propylpyrimidin-4-amine?
2-[(3,5-difluorophenyl)methyl]-5-fluoro-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 295.31 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-5-fluoro-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66000005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).