1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-imine;ethane;propane

C14H26F3N3 — CID 143459211

IUPAC1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-imine;ethane;propane
SMILESCC.CCC.Cc1ccn(C)/c(=N/C(C)C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3.C3H8.C2H6/c1-6-4-5-15(3)8(13-6)14-7(2)9(10,11)12;1-3-2;1-2/h4-5,7H,1-3H3;3H2,1-2H3;1-2H3/b14-8+;;
InChIKeyBJDRSRKZYBVCKL-JPMXUBAOSA-N
MW293.38 g/mol
LogP4.02
Rot. Bonds1

About 1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-imine;ethane;propane

1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-imine;ethane;propane (PubChem CID 143459211) has the molecular formula C14H26F3N3 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-imine;ethane;propane.

Molecular Properties

Compound Name1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-imine;ethane;propane
PubChem CID143459211
Molecular FormulaC14H26F3N3
Molecular Weight293.38 g/mol
Exact Mass293.21
IUPAC Name1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-imine;ethane;propane
SMILESCC.CCC.Cc1ccn(C)/c(=N/C(C)C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3.C3H8.C2H6/c1-6-4-5-15(3)8(13-6)14-7(2)9(10,11)12;1-3-2;1-2/h4-5,7H,1-3H3;3H2,1-2H3;1-2H3/b14-8+;;
InChIKeyBJDRSRKZYBVCKL-JPMXUBAOSA-N
XLogP4.02
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-imine;ethane;propane?
The IUPAC name of 1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-imine;ethane;propane (CID 143459211) is 1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-imine;ethane;propane.
What is the SMILES notation for 1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-imine;ethane;propane?
The canonical SMILES for 1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-imine;ethane;propane is CC.CCC.Cc1ccn(C)/c(=N/C(C)C(F)(F)F)n1.
What is the InChIKey of 1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-imine;ethane;propane?
The InChIKey is BJDRSRKZYBVCKL-JPMXUBAOSA-N. The full InChI is InChI=1S/C9H12F3N3.C3H8.C2H6/c1-6-4-5-15(3)8(13-6)14-7(2)9(10,11)12;1-3-2;1-2/h4-5,7H,1-3H3;3H2,1-2H3;1-2H3/b14-8+;;.
What are the key properties of 1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-imine;ethane;propane?
1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-imine;ethane;propane has a molecular weight of 293.38 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-imine;ethane;propane is sourced from PubChem (CID 143459211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).