cis-(1R,2S)-N-(2,4-difluorophenyl)-2-[[(2,4-dimethylpyrimidin-5-yl)-methylamino]methyl]-2-phenylcyclopropane-1-carboxamide

C24H24F2N4O — CID 67474047

IUPACcis-(1R,2S)-N-(2,4-difluorophenyl)-2-[[(2,4-dimethylpyrimidin-5-yl)-methylamino]methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1ncc(N(C)C[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(F)cc2F)c(C)n1
InChIInChI=1S/C24H24F2N4O/c1-15-22(13-27-16(2)28-15)30(3)14-24(17-7-5-4-6-8-17)12-19(24)23(31)29-21-10-9-18(25)11-20(21)26/h4-11,13,19H,12,14H2,1-3H3,(H,29,31)/t19-,24+/m0/s1
InChIKeyBDLMVNSUEMTAQE-YADARESESA-N
MW422.48 g/mol
LogP4.40
Rot. Bonds6

About cis-(1R,2S)-N-(2,4-difluorophenyl)-2-[[(2,4-dimethylpyrimidin-5-yl)-methylamino]methyl]-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-N-(2,4-difluorophenyl)-2-[[(2,4-dimethylpyrimidin-5-yl)-methylamino]methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 67474047) has the molecular formula C24H24F2N4O and a molecular weight of 422.48 g/mol. Its IUPAC name is cis-(1R,2S)-N-(2,4-difluorophenyl)-2-[[(2,4-dimethylpyrimidin-5-yl)-methylamino]methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(2,4-difluorophenyl)-2-[[(2,4-dimethylpyrimidin-5-yl)-methylamino]methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID67474047
Molecular FormulaC24H24F2N4O
Molecular Weight422.48 g/mol
Exact Mass422.19
IUPAC Namecis-(1R,2S)-N-(2,4-difluorophenyl)-2-[[(2,4-dimethylpyrimidin-5-yl)-methylamino]methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1ncc(N(C)C[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(F)cc2F)c(C)n1
InChIInChI=1S/C24H24F2N4O/c1-15-22(13-27-16(2)28-15)30(3)14-24(17-7-5-4-6-8-17)12-19(24)23(31)29-21-10-9-18(25)11-20(21)26/h4-11,13,19H,12,14H2,1-3H3,(H,29,31)/t19-,24+/m0/s1
InChIKeyBDLMVNSUEMTAQE-YADARESESA-N
XLogP4.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-N-(4,6-difluoro-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide
CID 67282857
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-4-methyl-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 67283149
cis-(1S,2R)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 124652776
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide
CID 67473920
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 150811899
N-(5-chloro-2-pyridinyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 67473954
cis-(1R,2S)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)-N-(4-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 67282729
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 67473925
cis-(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 162477281
cis-(1R,2S)-2-[(2-ethyl-4-methylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 67474062
trans-(1R,2R)-2-cyclohexa-2,4-dien-1-yl-N-(2,4-difluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide
CID 67475309
cis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-(3,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxamide
CID 56944431

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(2,4-difluorophenyl)-2-[[(2,4-dimethylpyrimidin-5-yl)-methylamino]methyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(2,4-difluorophenyl)-2-[[(2,4-dimethylpyrimidin-5-yl)-methylamino]methyl]-2-phenylcyclopropane-1-carboxamide (CID 67474047) is cis-(1R,2S)-N-(2,4-difluorophenyl)-2-[[(2,4-dimethylpyrimidin-5-yl)-methylamino]methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(2,4-difluorophenyl)-2-[[(2,4-dimethylpyrimidin-5-yl)-methylamino]methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(2,4-difluorophenyl)-2-[[(2,4-dimethylpyrimidin-5-yl)-methylamino]methyl]-2-phenylcyclopropane-1-carboxamide is Cc1ncc(N(C)C[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(F)cc2F)c(C)n1.
What is the InChIKey of cis-(1R,2S)-N-(2,4-difluorophenyl)-2-[[(2,4-dimethylpyrimidin-5-yl)-methylamino]methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is BDLMVNSUEMTAQE-YADARESESA-N. The full InChI is InChI=1S/C24H24F2N4O/c1-15-22(13-27-16(2)28-15)30(3)14-24(17-7-5-4-6-8-17)12-19(24)23(31)29-21-10-9-18(25)11-20(21)26/h4-11,13,19H,12,14H2,1-3H3,(H,29,31)/t19-,24+/m0/s1.
What are the key properties of cis-(1R,2S)-N-(2,4-difluorophenyl)-2-[[(2,4-dimethylpyrimidin-5-yl)-methylamino]methyl]-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-(2,4-difluorophenyl)-2-[[(2,4-dimethylpyrimidin-5-yl)-methylamino]methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 422.48 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(2,4-difluorophenyl)-2-[[(2,4-dimethylpyrimidin-5-yl)-methylamino]methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 67474047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).