1-[[2-(difluoromethoxy)pyrimidin-4-yl]methyl]-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea

C11H11F5N4O2 — CID 168955829

IUPAC1-[[2-(difluoromethoxy)pyrimidin-4-yl]methyl]-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea
SMILESO=C(NCc1ccnc(OC(F)F)n1)N[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C11H11F5N4O2/c12-8(13)22-10-17-2-1-5(19-10)4-18-9(21)20-7-3-6(7)11(14,15)16/h1-2,6-8H,3-4H2,(H2,18,20,21)/t6-,7-/m1/s1
InChIKeyCOGRYCWQJNNCCX-RNFRBKRXSA-N
MW326.23 g/mol
LogP1.83
Rot. Bonds5

About 1-[[2-(difluoromethoxy)pyrimidin-4-yl]methyl]-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea

1-[[2-(difluoromethoxy)pyrimidin-4-yl]methyl]-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea (PubChem CID 168955829) has the molecular formula C11H11F5N4O2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)pyrimidin-4-yl]methyl]-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)pyrimidin-4-yl]methyl]-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea
PubChem CID168955829
Molecular FormulaC11H11F5N4O2
Molecular Weight326.23 g/mol
Exact Mass326.08
IUPAC Name1-[[2-(difluoromethoxy)pyrimidin-4-yl]methyl]-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea
SMILESO=C(NCc1ccnc(OC(F)F)n1)N[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C11H11F5N4O2/c12-8(13)22-10-17-2-1-5(19-10)4-18-9(21)20-7-3-6(7)11(14,15)16/h1-2,6-8H,3-4H2,(H2,18,20,21)/t6-,7-/m1/s1
InChIKeyCOGRYCWQJNNCCX-RNFRBKRXSA-N
XLogP1.83
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(difluoromethoxy)pyrimidin-4-yl]methyl]-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea with MolForge

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Related Compounds

3-ethoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide
CID 72006787
1-[[2-(Dimethylamino)pyrimidin-4-yl]methyl]-3-propan-2-ylurea
CID 75444256
1-Tert-butyl-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
CID 75444258
1-[[2-(Dimethylamino)pyrimidin-4-yl]methyl]-3-ethylurea
CID 75444259
N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]cyclopropanecarboxamide
CID 2795995
N1-(4-(Trifluoromethyl)pyrimidin-2-yl)ethane-1,2-diamine
CID 2777800
N-((2-(dimethylamino)pyrimidin-4-yl)methyl)isobutyramide
CID 76148004
N-methyl-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
CID 31536708
methyl (3S)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate
CID 96455812
(2S)-3-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butanamide
CID 124677150
1-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-3-[[4-(trifluoromethyl)pyrimidin-2-yl]methyl]urea
CID 164633625
tert-butyl N-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]carbamate
CID 59462961

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)pyrimidin-4-yl]methyl]-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea?
The IUPAC name of 1-[[2-(difluoromethoxy)pyrimidin-4-yl]methyl]-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea (CID 168955829) is 1-[[2-(difluoromethoxy)pyrimidin-4-yl]methyl]-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea.
What is the SMILES notation for 1-[[2-(difluoromethoxy)pyrimidin-4-yl]methyl]-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea?
The canonical SMILES for 1-[[2-(difluoromethoxy)pyrimidin-4-yl]methyl]-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea is O=C(NCc1ccnc(OC(F)F)n1)N[C@@H]1C[C@H]1C(F)(F)F.
What is the InChIKey of 1-[[2-(difluoromethoxy)pyrimidin-4-yl]methyl]-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea?
The InChIKey is COGRYCWQJNNCCX-RNFRBKRXSA-N. The full InChI is InChI=1S/C11H11F5N4O2/c12-8(13)22-10-17-2-1-5(19-10)4-18-9(21)20-7-3-6(7)11(14,15)16/h1-2,6-8H,3-4H2,(H2,18,20,21)/t6-,7-/m1/s1.
What are the key properties of 1-[[2-(difluoromethoxy)pyrimidin-4-yl]methyl]-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea?
1-[[2-(difluoromethoxy)pyrimidin-4-yl]methyl]-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea has a molecular weight of 326.23 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)pyrimidin-4-yl]methyl]-3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]urea is sourced from PubChem (CID 168955829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).