2-N-ethyl-2-N-(furan-3-ylmethyl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C14H17F3N4O — CID 133275421

IUPAC2-N-ethyl-2-N-(furan-3-ylmethyl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN(Cc1ccoc1)c1nc(N(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C14H17F3N4O/c1-4-21(8-10-5-6-22-9-10)13-18-11(14(15,16)17)7-12(19-13)20(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyJSHNGOMMSZKTQX-UHFFFAOYSA-N
MW314.31 g/mol
LogP3.18
Rot. Bonds5

About 2-N-ethyl-2-N-(furan-3-ylmethyl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-ethyl-2-N-(furan-3-ylmethyl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 133275421) has the molecular formula C14H17F3N4O and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(furan-3-ylmethyl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(furan-3-ylmethyl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID133275421
Molecular FormulaC14H17F3N4O
Molecular Weight314.31 g/mol
Exact Mass314.14
IUPAC Name2-N-ethyl-2-N-(furan-3-ylmethyl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN(Cc1ccoc1)c1nc(N(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C14H17F3N4O/c1-4-21(8-10-5-6-22-9-10)13-18-11(14(15,16)17)7-12(19-13)20(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyJSHNGOMMSZKTQX-UHFFFAOYSA-N
XLogP3.18
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(furan-3-ylmethyl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-2-N-(furan-3-ylmethyl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 133275421) is 2-N-ethyl-2-N-(furan-3-ylmethyl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(furan-3-ylmethyl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(furan-3-ylmethyl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCN(Cc1ccoc1)c1nc(N(C)C)cc(C(F)(F)F)n1.
What is the InChIKey of 2-N-ethyl-2-N-(furan-3-ylmethyl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is JSHNGOMMSZKTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O/c1-4-21(8-10-5-6-22-9-10)13-18-11(14(15,16)17)7-12(19-13)20(2)3/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 2-N-ethyl-2-N-(furan-3-ylmethyl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-ethyl-2-N-(furan-3-ylmethyl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 314.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(furan-3-ylmethyl)-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 133275421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).