ethane;4,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

C11H18F3N3 — CID 143946840

IUPACethane;4,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCC.Cc1nc(NCC(F)(F)F)nc(C)c1C
InChIInChI=1S/C9H12F3N3.C2H6/c1-5-6(2)14-8(15-7(5)3)13-4-9(10,11)12;1-2/h4H2,1-3H3,(H,13,14,15);1-2H3
InChIKeyPZGPCBBBUSVSSO-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.40
Rot. Bonds2

About ethane;4,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

ethane;4,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (PubChem CID 143946840) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is ethane;4,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Nameethane;4,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
PubChem CID143946840
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Nameethane;4,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCC.Cc1nc(NCC(F)(F)F)nc(C)c1C
InChIInChI=1S/C9H12F3N3.C2H6/c1-5-6(2)14-8(15-7(5)3)13-4-9(10,11)12;1-2/h4H2,1-3H3,(H,13,14,15);1-2H3
InChIKeyPZGPCBBBUSVSSO-UHFFFAOYSA-N
XLogP3.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The IUPAC name of ethane;4,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (CID 143946840) is ethane;4,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for ethane;4,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The canonical SMILES for ethane;4,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is CC.Cc1nc(NCC(F)(F)F)nc(C)c1C.
What is the InChIKey of ethane;4,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The InChIKey is PZGPCBBBUSVSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3.C2H6/c1-5-6(2)14-8(15-7(5)3)13-4-9(10,11)12;1-2/h4H2,1-3H3,(H,13,14,15);1-2H3.
What are the key properties of ethane;4,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
ethane;4,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine has a molecular weight of 249.28 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,5,6-trimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 143946840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).