trans-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide

C17H18FN3O2 — CID 151803329

IUPACtrans-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1ncc(OC[C@H]2C[C@H]2C(=O)Nc2ccc(F)cc2)c(C)n1
InChIInChI=1S/C17H18FN3O2/c1-10-16(8-19-11(2)20-10)23-9-12-7-15(12)17(22)21-14-5-3-13(18)4-6-14/h3-6,8,12,15H,7,9H2,1-2H3,(H,21,22)/t12-,15-/m1/s1
InChIKeyRZBPGESFNVWWTG-IUODEOHRSA-N
MW315.35 g/mol
LogP2.89
Rot. Bonds5

About trans-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide

trans-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 151803329) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is trans-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID151803329
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Nametrans-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1ncc(OC[C@H]2C[C@H]2C(=O)Nc2ccc(F)cc2)c(C)n1
InChIInChI=1S/C17H18FN3O2/c1-10-16(8-19-11(2)20-10)23-9-12-7-15(12)17(22)21-14-5-3-13(18)4-6-14/h3-6,8,12,15H,7,9H2,1-2H3,(H,21,22)/t12-,15-/m1/s1
InChIKeyRZBPGESFNVWWTG-IUODEOHRSA-N
XLogP2.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropyl]methanol
CID 67281799
2-[(3,5-dimethyl-2H-1,4-diazepin-6-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 155351685
(1R,6R)-6-[(4-fluorophenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 802021
2-(2,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 67282691
trans-(1R,2R)-2-cyclohexa-2,4-dien-1-yl-2-[(4-ethyl-2-methylpyrimidin-5-yl)oxymethyl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 67475504
2-(3-chlorophenyl)-N-(4-fluorophenyl)-2-[[4-(methoxymethyl)-2-methylpyrimidin-5-yl]oxymethyl]cyclopropane-1-carboxamide
CID 67474012
1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142798
trans-(1R,2R)-N-(3,4-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-(4-fluorocyclohexa-2,4-dien-1-yl)cyclopropane-1-carboxamide
CID 67475357
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)-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]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 67473935
2-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670661

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 151803329) is trans-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide is Cc1ncc(OC[C@H]2C[C@H]2C(=O)Nc2ccc(F)cc2)c(C)n1.
What is the InChIKey of trans-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is RZBPGESFNVWWTG-IUODEOHRSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-10-16(8-19-11(2)20-10)23-9-12-7-15(12)17(22)21-14-5-3-13(18)4-6-14/h3-6,8,12,15H,7,9H2,1-2H3,(H,21,22)/t12-,15-/m1/s1.
What are the key properties of trans-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide?
trans-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 151803329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).