5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

C9H12F3N3 — CID 79965193

IUPAC5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCc1nc(CCC(F)(F)F)nc(N)c1C
InChIInChI=1S/C9H12F3N3/c1-5-6(2)14-7(15-8(5)13)3-4-9(10,11)12/h3-4H2,1-2H3,(H2,13,14,15)
InChIKeyNQBKYFLFBCYNCT-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.17
Rot. Bonds2

About 5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 79965193) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID79965193
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCc1nc(CCC(F)(F)F)nc(N)c1C
InChIInChI=1S/C9H12F3N3/c1-5-6(2)14-7(15-8(5)13)3-4-9(10,11)12/h3-4H2,1-2H3,(H2,13,14,15)
InChIKeyNQBKYFLFBCYNCT-UHFFFAOYSA-N
XLogP2.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 79965193) is 5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is Cc1nc(CCC(F)(F)F)nc(N)c1C.
What is the InChIKey of 5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is NQBKYFLFBCYNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-5-6(2)14-7(15-8(5)13)3-4-9(10,11)12/h3-4H2,1-2H3,(H2,13,14,15).
What are the key properties of 5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 219.21 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 79965193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).