2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide

C19H18F6N6O2 — CID 90321890

IUPAC2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC(C)[C@H]1CN(c2cnc(C(F)(F)F)nc2)C(=O)N1CC(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C19H18F6N6O2/c1-10(2)13-8-30(12-6-27-16(28-7-12)19(23,24)25)17(33)31(13)9-15(32)29-14-5-11(3-4-26-14)18(20,21)22/h3-7,10,13H,8-9H2,1-2H3,(H,26,29,32)/t13-/m1/s1
InChIKeyAMYRLBTWTUYZRX-CYBMUJFWSA-N
MW476.38 g/mol
LogP3.81
Rot. Bonds5

About 2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide

2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 90321890) has the molecular formula C19H18F6N6O2 and a molecular weight of 476.38 g/mol. Its IUPAC name is 2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID90321890
Molecular FormulaC19H18F6N6O2
Molecular Weight476.38 g/mol
Exact Mass476.14
IUPAC Name2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC(C)[C@H]1CN(c2cnc(C(F)(F)F)nc2)C(=O)N1CC(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C19H18F6N6O2/c1-10(2)13-8-30(12-6-27-16(28-7-12)19(23,24)25)17(33)31(13)9-15(32)29-14-5-11(3-4-26-14)18(20,21)22/h3-7,10,13H,8-9H2,1-2H3,(H,26,29,32)/t13-/m1/s1
InChIKeyAMYRLBTWTUYZRX-CYBMUJFWSA-N
XLogP3.81
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide (CID 90321890) is 2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide is CC(C)[C@H]1CN(c2cnc(C(F)(F)F)nc2)C(=O)N1CC(=O)Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is AMYRLBTWTUYZRX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18F6N6O2/c1-10(2)13-8-30(12-6-27-16(28-7-12)19(23,24)25)17(33)31(13)9-15(32)29-14-5-11(3-4-26-14)18(20,21)22/h3-7,10,13H,8-9H2,1-2H3,(H,26,29,32)/t13-/m1/s1.
What are the key properties of 2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 476.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-oxo-5-propan-2-yl-3-[2-(trifluoromethyl)pyrimidin-5-yl]imidazolidin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 90321890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).