2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-3,3-dimethyl-N,2-diphenylcyclopropane-1-carboxamide

C25H27N3O2 — CID 67474048

IUPAC2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-3,3-dimethyl-N,2-diphenylcyclopropane-1-carboxamide
SMILESCc1ncc(OCC2(c3ccccc3)C(C(=O)Nc3ccccc3)C2(C)C)c(C)n1
InChIInChI=1S/C25H27N3O2/c1-17-21(15-26-18(2)27-17)30-16-25(19-11-7-5-8-12-19)22(24(25,3)4)23(29)28-20-13-9-6-10-14-20/h5-15,22H,16H2,1-4H3,(H,28,29)
InChIKeyVUKCQBBDSKVUFL-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.70
Rot. Bonds6

About 2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-3,3-dimethyl-N,2-diphenylcyclopropane-1-carboxamide

2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-3,3-dimethyl-N,2-diphenylcyclopropane-1-carboxamide (PubChem CID 67474048) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-3,3-dimethyl-N,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-3,3-dimethyl-N,2-diphenylcyclopropane-1-carboxamide
PubChem CID67474048
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-3,3-dimethyl-N,2-diphenylcyclopropane-1-carboxamide
SMILESCc1ncc(OCC2(c3ccccc3)C(C(=O)Nc3ccccc3)C2(C)C)c(C)n1
InChIInChI=1S/C25H27N3O2/c1-17-21(15-26-18(2)27-17)30-16-25(19-11-7-5-8-12-19)22(24(25,3)4)23(29)28-20-13-9-6-10-14-20/h5-15,22H,16H2,1-4H3,(H,28,29)
InChIKeyVUKCQBBDSKVUFL-UHFFFAOYSA-N
XLogP4.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 67473935
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-4-methyl-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 67283149
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-(4-methoxy-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 67473925
trans-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 151803329
1-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxylic acid
CID 141325331
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-(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-ethyl-4-methylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 67474062
2-(2,5-difluorophenyl)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-N-(5-fluoro-2-pyridinyl)cyclopropane-1-carboxamide
CID 67282691
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 2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-3,3-dimethyl-N,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of 2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-3,3-dimethyl-N,2-diphenylcyclopropane-1-carboxamide (CID 67474048) is 2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-3,3-dimethyl-N,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-3,3-dimethyl-N,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for 2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-3,3-dimethyl-N,2-diphenylcyclopropane-1-carboxamide is Cc1ncc(OCC2(c3ccccc3)C(C(=O)Nc3ccccc3)C2(C)C)c(C)n1.
What is the InChIKey of 2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-3,3-dimethyl-N,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is VUKCQBBDSKVUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-17-21(15-26-18(2)27-17)30-16-25(19-11-7-5-8-12-19)22(24(25,3)4)23(29)28-20-13-9-6-10-14-20/h5-15,22H,16H2,1-4H3,(H,28,29).
What are the key properties of 2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-3,3-dimethyl-N,2-diphenylcyclopropane-1-carboxamide?
2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-3,3-dimethyl-N,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-3,3-dimethyl-N,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 67474048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).