5-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

C10H14F3N3O — CID 80878202

IUPAC5-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCCCc1c(N)ncnc1OC(C)C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-3-4-7-8(14)15-5-16-9(7)17-6(2)10(11,12)13/h5-6H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyFQUBGAMIJYTBFR-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.34
Rot. Bonds4

About 5-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine

5-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (PubChem CID 80878202) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 5-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
PubChem CID80878202
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name5-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCCCc1c(N)ncnc1OC(C)C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-3-4-7-8(14)15-5-16-9(7)17-6(2)10(11,12)13/h5-6H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyFQUBGAMIJYTBFR-UHFFFAOYSA-N
XLogP2.34
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,2-Difluoropropyl)-4,6-dimethoxypyrimidin-2-amine
CID 164907912
4,6-Dimethoxy-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 164907942
5-(3,3-Difluoropropyl)-4,6-dimethoxypyrimidin-2-amine
CID 164908069
5-(2,3-Difluoropropyl)-4-methoxypyrimidin-2-amine
CID 164908096
5-(2,2-Difluoropropyl)-4-methoxypyrimidin-2-amine
CID 164908140
4-Methoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine
CID 164908171
4-Methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine
CID 164908260
4-Methoxy-5-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 164908335
5-(3,3-Difluoropropyl)-4-methoxypyrimidin-2-amine
CID 164908340
5-(3-Fluoropropyl)-4-methoxypyrimidin-2-amine
CID 164908431
4,6-Dimethoxy-5-(2,3,3-trifluoropropyl)pyrimidin-2-amine
CID 175471206
4-Methoxy-5-(1,2,3,3-tetrafluoropropyl)pyrimidin-2-amine
CID 175471475

Frequently Asked Questions

What is the IUPAC name of 5-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The IUPAC name of 5-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (CID 80878202) is 5-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.
What is the SMILES notation for 5-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The canonical SMILES for 5-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is CCCc1c(N)ncnc1OC(C)C(F)(F)F.
What is the InChIKey of 5-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The InChIKey is FQUBGAMIJYTBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-3-4-7-8(14)15-5-16-9(7)17-6(2)10(11,12)13/h5-6H,3-4H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
5-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine has a molecular weight of 249.24 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 80878202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).