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

C10H14F3N3O — CID 66330589

IUPAC6-propan-2-yloxy-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCC(C)Oc1cc(NCCC(F)(F)F)ncn1
InChIInChI=1S/C10H14F3N3O/c1-7(2)17-9-5-8(15-6-16-9)14-4-3-10(11,12)13/h5-7H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyDXVYQYWSAZOOFA-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.63
Rot. Bonds5

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

6-propan-2-yloxy-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 66330589) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 6-propan-2-yloxy-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yloxy-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID66330589
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name6-propan-2-yloxy-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCC(C)Oc1cc(NCCC(F)(F)F)ncn1
InChIInChI=1S/C10H14F3N3O/c1-7(2)17-9-5-8(15-6-16-9)14-4-3-10(11,12)13/h5-7H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyDXVYQYWSAZOOFA-UHFFFAOYSA-N
XLogP2.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of 6-propan-2-yloxy-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 66330589) is 6-propan-2-yloxy-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yloxy-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yloxy-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine is CC(C)Oc1cc(NCCC(F)(F)F)ncn1.
What is the InChIKey of 6-propan-2-yloxy-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is DXVYQYWSAZOOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7(2)17-9-5-8(15-6-16-9)14-4-3-10(11,12)13/h5-7H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of 6-propan-2-yloxy-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
6-propan-2-yloxy-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 249.24 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 66330589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).