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

C14H15F2N3 — CID 62192538

IUPAC2-[(3,5-difluorophenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(Cc2cc(F)cc(F)c2)nc(C)c1C
InChIInChI=1S/C14H15F2N3/c1-8-9(2)18-13(19-14(8)17-3)6-10-4-11(15)7-12(16)5-10/h4-5,7H,6H2,1-3H3,(H,17,18,19)
InChIKeyNHXDZQTUHWAQRL-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.00
Rot. Bonds3

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

2-[(3,5-difluorophenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine (PubChem CID 62192538) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
PubChem CID62192538
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[(3,5-difluorophenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(Cc2cc(F)cc(F)c2)nc(C)c1C
InChIInChI=1S/C14H15F2N3/c1-8-9(2)18-13(19-14(8)17-3)6-10-4-11(15)7-12(16)5-10/h4-5,7H,6H2,1-3H3,(H,17,18,19)
InChIKeyNHXDZQTUHWAQRL-UHFFFAOYSA-N
XLogP3.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.00
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]-N,5,6-trimethylpyrimidin-4-amine?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine (CID 62192538) is 2-[(3,5-difluorophenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine is CNc1nc(Cc2cc(F)cc(F)c2)nc(C)c1C.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine?
The InChIKey is NHXDZQTUHWAQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-8-9(2)18-13(19-14(8)17-3)6-10-4-11(15)7-12(16)5-10/h4-5,7H,6H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine?
2-[(3,5-difluorophenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine has a molecular weight of 263.29 g/mol, XLogP of 3.00, 3 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]-N,5,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 62192538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).