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

C19H18F3N5O2 — CID 139268215

IUPAC6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-1,3-diazinane-4-carboxamide
SMILESO=C1CC(C(=O)NC2(c3ccc(C(F)(F)F)cc3)CC2)NC(c2ncccn2)N1
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)12-4-2-11(3-5-12)18(6-7-18)27-17(29)13-10-14(28)26-16(25-13)15-23-8-1-9-24-15/h1-5,8-9,13,16,25H,6-7,10H2,(H,26,28)(H,27,29)
InChIKeyFZHLGUQPYYCNMC-UHFFFAOYSA-N
MW405.38 g/mol
LogP1.78
Rot. Bonds4

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

6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-1,3-diazinane-4-carboxamide (PubChem CID 139268215) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is 6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-1,3-diazinane-4-carboxamide
PubChem CID139268215
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-1,3-diazinane-4-carboxamide
SMILESO=C1CC(C(=O)NC2(c3ccc(C(F)(F)F)cc3)CC2)NC(c2ncccn2)N1
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)12-4-2-11(3-5-12)18(6-7-18)27-17(29)13-10-14(28)26-16(25-13)15-23-8-1-9-24-15/h1-5,8-9,13,16,25H,6-7,10H2,(H,26,28)(H,27,29)
InChIKeyFZHLGUQPYYCNMC-UHFFFAOYSA-N
XLogP1.78
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-tert-butylphenyl)cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268498
N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268007
N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
CID 139268076
N-[(1R)-1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268352
N-[1-[2-chloro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139268559
N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268195
N-[(R)-[4-(difluoromethoxy)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268507
N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide
CID 110445847
1-methyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]urea
CID 110490845
(3S,4R)-N-(1-phenylcyclopropyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46215442
5-oxo-N-(1-phenylcyclobutyl)pyrrolidine-2-carboxamide
CID 110482244
2-methyl-6-oxo-N-[(1R)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-diazinane-4-carboxamide
CID 139268244

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-1,3-diazinane-4-carboxamide?
The IUPAC name of 6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-1,3-diazinane-4-carboxamide (CID 139268215) is 6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-1,3-diazinane-4-carboxamide?
The canonical SMILES for 6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-1,3-diazinane-4-carboxamide is O=C1CC(C(=O)NC2(c3ccc(C(F)(F)F)cc3)CC2)NC(c2ncccn2)N1.
What is the InChIKey of 6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-1,3-diazinane-4-carboxamide?
The InChIKey is FZHLGUQPYYCNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c20-19(21,22)12-4-2-11(3-5-12)18(6-7-18)27-17(29)13-10-14(28)26-16(25-13)15-23-8-1-9-24-15/h1-5,8-9,13,16,25H,6-7,10H2,(H,26,28)(H,27,29).
What are the key properties of 6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-1,3-diazinane-4-carboxamide?
6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-1,3-diazinane-4-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).