2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone

C12H16F3N5O — CID 106771112

IUPAC2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N5O/c1-19(7-10(21)20-4-2-3-5-20)9-6-8(16)17-11(18-9)12(13,14)15/h6H,2-5,7H2,1H3,(H2,16,17,18)
InChIKeyYDCFRYSHVVMLEM-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.14
Rot. Bonds3

About 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone

2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 106771112) has the molecular formula C12H16F3N5O and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID106771112
Molecular FormulaC12H16F3N5O
Molecular Weight303.29 g/mol
Exact Mass303.13
IUPAC Name2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N5O/c1-19(7-10(21)20-4-2-3-5-20)9-6-8(16)17-11(18-9)12(13,14)15/h6H,2-5,7H2,1H3,(H2,16,17,18)
InChIKeyYDCFRYSHVVMLEM-UHFFFAOYSA-N
XLogP1.14
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone (CID 106771112) is 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone is CN(CC(=O)N1CCCC1)c1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is YDCFRYSHVVMLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O/c1-19(7-10(21)20-4-2-3-5-20)9-6-8(16)17-11(18-9)12(13,14)15/h6H,2-5,7H2,1H3,(H2,16,17,18).
What are the key properties of 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone?
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 303.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 106771112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).