N-ethyl-3-methyl-2-[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1-carboxamide

C14H19F3N4O — CID 67970621

IUPACN-ethyl-3-methyl-2-[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1-carboxamide
SMILESCCNC(=O)C1CC(C)C1c1ncc(C(F)(F)F)c(NC)n1
InChIInChI=1S/C14H19F3N4O/c1-4-19-13(22)8-5-7(2)10(8)12-20-6-9(14(15,16)17)11(18-3)21-12/h6-8,10H,4-5H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyZTRSEFZEJRWRPI-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.41
Rot. Bonds4

About N-ethyl-3-methyl-2-[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1-carboxamide

N-ethyl-3-methyl-2-[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1-carboxamide (PubChem CID 67970621) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1-carboxamide
PubChem CID67970621
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC NameN-ethyl-3-methyl-2-[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1-carboxamide
SMILESCCNC(=O)C1CC(C)C1c1ncc(C(F)(F)F)c(NC)n1
InChIInChI=1S/C14H19F3N4O/c1-4-19-13(22)8-5-7(2)10(8)12-20-6-9(14(15,16)17)11(18-3)21-12/h6-8,10H,4-5H2,1-3H3,(H,19,22)(H,18,20,21)
InChIKeyZTRSEFZEJRWRPI-UHFFFAOYSA-N
XLogP2.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1-carboxamide?
The IUPAC name of N-ethyl-3-methyl-2-[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1-carboxamide (CID 67970621) is N-ethyl-3-methyl-2-[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-2-[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-2-[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1-carboxamide is CCNC(=O)C1CC(C)C1c1ncc(C(F)(F)F)c(NC)n1.
What is the InChIKey of N-ethyl-3-methyl-2-[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1-carboxamide?
The InChIKey is ZTRSEFZEJRWRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c1-4-19-13(22)8-5-7(2)10(8)12-20-6-9(14(15,16)17)11(18-3)21-12/h6-8,10H,4-5H2,1-3H3,(H,19,22)(H,18,20,21).
What are the key properties of N-ethyl-3-methyl-2-[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1-carboxamide?
N-ethyl-3-methyl-2-[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 67970621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).