6-oxo-2-pyrimidin-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide

C16H16F3N7O2 — CID 139268036

IUPAC6-oxo-2-pyrimidin-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide
SMILESCC(NC(=O)C1CC(=O)NC(c2ncccn2)N1)c1ncc(C(F)(F)F)cn1
InChIInChI=1S/C16H16F3N7O2/c1-8(12-22-6-9(7-23-12)16(17,18)19)24-15(28)10-5-11(27)26-14(25-10)13-20-3-2-4-21-13/h2-4,6-8,10,14,25H,5H2,1H3,(H,24,28)(H,26,27)
InChIKeyKUZGYXQBXTZIAG-UHFFFAOYSA-N
MW395.35 g/mol
LogP0.64
Rot. Bonds4

About 6-oxo-2-pyrimidin-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide

6-oxo-2-pyrimidin-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide (PubChem CID 139268036) has the molecular formula C16H16F3N7O2 and a molecular weight of 395.35 g/mol. Its IUPAC name is 6-oxo-2-pyrimidin-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name6-oxo-2-pyrimidin-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide
PubChem CID139268036
Molecular FormulaC16H16F3N7O2
Molecular Weight395.35 g/mol
Exact Mass395.13
IUPAC Name6-oxo-2-pyrimidin-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide
SMILESCC(NC(=O)C1CC(=O)NC(c2ncccn2)N1)c1ncc(C(F)(F)F)cn1
InChIInChI=1S/C16H16F3N7O2/c1-8(12-22-6-9(7-23-12)16(17,18)19)24-15(28)10-5-11(27)26-14(25-10)13-20-3-2-4-21-13/h2-4,6-8,10,14,25H,5H2,1H3,(H,24,28)(H,26,27)
InChIKeyKUZGYXQBXTZIAG-UHFFFAOYSA-N
XLogP0.64
TPSA121.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-pyrimidin-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide?
The IUPAC name of 6-oxo-2-pyrimidin-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide (CID 139268036) is 6-oxo-2-pyrimidin-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 6-oxo-2-pyrimidin-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide?
The canonical SMILES for 6-oxo-2-pyrimidin-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide is CC(NC(=O)C1CC(=O)NC(c2ncccn2)N1)c1ncc(C(F)(F)F)cn1.
What is the InChIKey of 6-oxo-2-pyrimidin-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide?
The InChIKey is KUZGYXQBXTZIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7O2/c1-8(12-22-6-9(7-23-12)16(17,18)19)24-15(28)10-5-11(27)26-14(25-10)13-20-3-2-4-21-13/h2-4,6-8,10,14,25H,5H2,1H3,(H,24,28)(H,26,27).
What are the key properties of 6-oxo-2-pyrimidin-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide?
6-oxo-2-pyrimidin-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide has a molecular weight of 395.35 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-pyrimidin-2-yl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).