2-methyl-N-[(3S)-3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]oxolan-3-yl]pyrimidine-5-carboxamide

C19H19F3N4O3 — CID 159305857

IUPAC2-methyl-N-[(3S)-3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]oxolan-3-yl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@@]2(C(=O)NCc3ccccc3C(F)(F)F)CCOC2)cn1
InChIInChI=1S/C19H19F3N4O3/c1-12-23-9-14(10-24-12)16(27)26-18(6-7-29-11-18)17(28)25-8-13-4-2-3-5-15(13)19(20,21)22/h2-5,9-10H,6-8,11H2,1H3,(H,25,28)(H,26,27)/t18-/m0/s1
InChIKeyLBXHLFZHEZVHIA-SFHVURJKSA-N
MW408.38 g/mol
LogP2.01
Rot. Bonds5

About 2-methyl-N-[(3S)-3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]oxolan-3-yl]pyrimidine-5-carboxamide

2-methyl-N-[(3S)-3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]oxolan-3-yl]pyrimidine-5-carboxamide (PubChem CID 159305857) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]oxolan-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(3S)-3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]oxolan-3-yl]pyrimidine-5-carboxamide
PubChem CID159305857
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC Name2-methyl-N-[(3S)-3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]oxolan-3-yl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@@]2(C(=O)NCc3ccccc3C(F)(F)F)CCOC2)cn1
InChIInChI=1S/C19H19F3N4O3/c1-12-23-9-14(10-24-12)16(27)26-18(6-7-29-11-18)17(28)25-8-13-4-2-3-5-15(13)19(20,21)22/h2-5,9-10H,6-8,11H2,1H3,(H,25,28)(H,26,27)/t18-/m0/s1
InChIKeyLBXHLFZHEZVHIA-SFHVURJKSA-N
XLogP2.01
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-[(3S)-3-[[4-[2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]pyrimidine-5-carboxamide
CID 59496287
6-methyl-N-[3-[[4-[2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]pyridine-3-carboxamide
CID 67542491
2-methoxy-N-[(3S)-3-[[4-[2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]pyrimidine-5-carboxamide
CID 59496460
N-[(3S)-3-[[4-[2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]pyridazine-4-carboxamide
CID 59496472
2-methoxy-N-[(3S)-3-[[4-[2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]pyridine-4-carboxamide
CID 59496512
2-methoxy-N-[3-[[4-[2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]pyridine-4-carboxamide
CID 67542927
6-oxo-N-[3-[[4-[2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]-1H-pyridazine-4-carboxamide
CID 90966946
3-[4-(2-methylpyrimidin-5-yl)-4-oxobutyl]-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide
CID 91114682
5-amino-N-[3-[[3-fluoro-5-[2-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamoyl]oxolan-3-yl]pyridine-3-carboxamide
CID 67542852
N-[(3S)-3-[[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 46899223
N-[(3S)-3-[[4-[4-chloro-2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]-2-methoxypyrimidine-5-carboxamide
CID 59496233
N-[(3S)-3-[[3-chloro-5-[2-fluoro-6-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamoyl]oxolan-3-yl]-2-methoxypyrimidine-5-carboxamide
CID 59496402

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]oxolan-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-[(3S)-3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]oxolan-3-yl]pyrimidine-5-carboxamide (CID 159305857) is 2-methyl-N-[(3S)-3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]oxolan-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[(3S)-3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]oxolan-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-[(3S)-3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]oxolan-3-yl]pyrimidine-5-carboxamide is Cc1ncc(C(=O)N[C@@]2(C(=O)NCc3ccccc3C(F)(F)F)CCOC2)cn1.
What is the InChIKey of 2-methyl-N-[(3S)-3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]oxolan-3-yl]pyrimidine-5-carboxamide?
The InChIKey is LBXHLFZHEZVHIA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c1-12-23-9-14(10-24-12)16(27)26-18(6-7-29-11-18)17(28)25-8-13-4-2-3-5-15(13)19(20,21)22/h2-5,9-10H,6-8,11H2,1H3,(H,25,28)(H,26,27)/t18-/m0/s1.
What are the key properties of 2-methyl-N-[(3S)-3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]oxolan-3-yl]pyrimidine-5-carboxamide?
2-methyl-N-[(3S)-3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]oxolan-3-yl]pyrimidine-5-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-3-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]oxolan-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 159305857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).