4-(3,5-difluorophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine

C12H12F2N4 — CID 55251714

IUPAC4-(3,5-difluorophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H12F2N4/c1-6(2)10-16-11(18-12(15)17-10)7-3-8(13)5-9(14)4-7/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyCLAWTEZLQFHLCS-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.52
Rot. Bonds2

About 4-(3,5-difluorophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine

4-(3,5-difluorophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 55251714) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID55251714
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name4-(3,5-difluorophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(-c2cc(F)cc(F)c2)n1
InChIInChI=1S/C12H12F2N4/c1-6(2)10-16-11(18-12(15)17-10)7-3-8(13)5-9(14)4-7/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyCLAWTEZLQFHLCS-UHFFFAOYSA-N
XLogP2.52
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,5-difluorophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine (CID 55251714) is 4-(3,5-difluorophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,5-difluorophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,5-difluorophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(N)nc(-c2cc(F)cc(F)c2)n1.
What is the InChIKey of 4-(3,5-difluorophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is CLAWTEZLQFHLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c1-6(2)10-16-11(18-12(15)17-10)7-3-8(13)5-9(14)4-7/h3-6H,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-(3,5-difluorophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
4-(3,5-difluorophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 250.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 55251714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).