6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

C10H14F3N3 — CID 79965023

IUPAC6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCC(C)c1cc(N)nc(CCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3/c1-6(2)7-5-8(14)16-9(15-7)3-4-10(11,12)13/h5-6H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyMFLZPHQYUAPLDQ-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.68
Rot. Bonds3

About 6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 79965023) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID79965023
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCC(C)c1cc(N)nc(CCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3/c1-6(2)7-5-8(14)16-9(15-7)3-4-10(11,12)13/h5-6H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyMFLZPHQYUAPLDQ-UHFFFAOYSA-N
XLogP2.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of 6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 79965023) is 6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is CC(C)c1cc(N)nc(CCC(F)(F)F)n1.
What is the InChIKey of 6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is MFLZPHQYUAPLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-6(2)7-5-8(14)16-9(15-7)3-4-10(11,12)13/h5-6H,3-4H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 233.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 79965023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).