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

C15H18F3N5O2 — CID 139268134

IUPAC2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide
SMILESCC(NC(=O)C1CC(=O)NC(C2CC2)N1)c1ncc(C(F)(F)F)cn1
InChIInChI=1S/C15H18F3N5O2/c1-7(12-19-5-9(6-20-12)15(16,17)18)21-14(25)10-4-11(24)23-13(22-10)8-2-3-8/h5-8,10,13,22H,2-4H2,1H3,(H,21,25)(H,23,24)
InChIKeyNGHKFOOVPSDJAK-UHFFFAOYSA-N
MW357.34 g/mol
LogP0.89
Rot. Bonds4

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

2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide (PubChem CID 139268134) has the molecular formula C15H18F3N5O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide
PubChem CID139268134
Molecular FormulaC15H18F3N5O2
Molecular Weight357.34 g/mol
Exact Mass357.14
IUPAC Name2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide
SMILESCC(NC(=O)C1CC(=O)NC(C2CC2)N1)c1ncc(C(F)(F)F)cn1
InChIInChI=1S/C15H18F3N5O2/c1-7(12-19-5-9(6-20-12)15(16,17)18)21-14(25)10-4-11(24)23-13(22-10)8-2-3-8/h5-8,10,13,22H,2-4H2,1H3,(H,21,25)(H,23,24)
InChIKeyNGHKFOOVPSDJAK-UHFFFAOYSA-N
XLogP0.89
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

US9815796, Example 105
CID 139268036
1,3-Dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one
CID 56702941
(6S)-4-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-6-methylpiperazin-2-one
CID 132422813
N-(1-methyl-6-oxopiperidin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 132291310
2-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 57833070
2-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 70672879
(2R)-2-[[2-(7,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidin-5-yl)-5-fluoropyrimidin-4-yl]-methylamino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 71110893
2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136982837
2-[5-(Trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide
CID 140942770
buta-1,3-diene;N-[3-[[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]cyclopropanecarboxamide
CID 145025591
(3R)-3-amino-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
CID 156313726
3-Amino-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one;ethane
CID 156733425

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide (CID 139268134) is 2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide is CC(NC(=O)C1CC(=O)NC(C2CC2)N1)c1ncc(C(F)(F)F)cn1.
What is the InChIKey of 2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide?
The InChIKey is NGHKFOOVPSDJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O2/c1-7(12-19-5-9(6-20-12)15(16,17)18)21-14(25)10-4-11(24)23-13(22-10)8-2-3-8/h5-8,10,13,22H,2-4H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide?
2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide has a molecular weight of 357.34 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-oxo-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).