2-(cyclopropanecarbonylamino)-6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide

C19H19F3N4O3 — CID 67510555

IUPAC2-(cyclopropanecarbonylamino)-6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)nc(NC(=O)C2CC2)n1
InChIInChI=1S/C19H19F3N4O3/c1-10-9-15(25-18(23-10)26-16(27)13-3-4-13)17(28)24-11(2)12-5-7-14(8-6-12)29-19(20,21)22/h5-9,11,13H,3-4H2,1-2H3,(H,24,28)(H,23,25,26,27)/t11-/m1/s1
InChIKeyXGGLJDMOPOINBV-LLVKDONJSA-N
MW408.38 g/mol
LogP3.52
Rot. Bonds6

About 2-(cyclopropanecarbonylamino)-6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide

2-(cyclopropanecarbonylamino)-6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide (PubChem CID 67510555) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
PubChem CID67510555
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC Name2-(cyclopropanecarbonylamino)-6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)nc(NC(=O)C2CC2)n1
InChIInChI=1S/C19H19F3N4O3/c1-10-9-15(25-18(23-10)26-16(27)13-3-4-13)17(28)24-11(2)12-5-7-14(8-6-12)29-19(20,21)22/h5-9,11,13H,3-4H2,1-2H3,(H,24,28)(H,23,25,26,27)/t11-/m1/s1
InChIKeyXGGLJDMOPOINBV-LLVKDONJSA-N
XLogP3.52
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-chloro-4-(2,2-difluoroethoxy)phenyl]ethyl]-2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxamide
CID 87426869
2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 162025687
2-methylpropan-2-amine;6-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 174811433
2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid
CID 67508732
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 161315130
2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 67508666
(3S)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]oxolane-3-carboxamide
CID 94824757
6-oxo-2-pyrimidin-2-yl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 137126165
2-(cyclopropanecarbonylamino)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 67510781
2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 159988317
3-acetamido-4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46485290
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide (CID 67510555) is 2-(cyclopropanecarbonylamino)-6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)N[C@H](C)c2ccc(OC(F)(F)F)cc2)nc(NC(=O)C2CC2)n1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide?
The InChIKey is XGGLJDMOPOINBV-LLVKDONJSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c1-10-9-15(25-18(23-10)26-16(27)13-3-4-13)17(28)24-11(2)12-5-7-14(8-6-12)29-19(20,21)22/h5-9,11,13H,3-4H2,1-2H3,(H,24,28)(H,23,25,26,27)/t11-/m1/s1.
What are the key properties of 2-(cyclopropanecarbonylamino)-6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide?
2-(cyclopropanecarbonylamino)-6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 67510555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).