ethyl 2-[(1-phenylcyclopropyl)methyl]pyrimidine-5-carboxylate

C17H18N2O2 — CID 159864160

IUPACethyl 2-[(1-phenylcyclopropyl)methyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CC2(c3ccccc3)CC2)nc1
InChIInChI=1S/C17H18N2O2/c1-2-21-16(20)13-11-18-15(19-12-13)10-17(8-9-17)14-6-4-3-5-7-14/h3-7,11-12H,2,8-10H2,1H3
InChIKeyFATHONNYUQQYRV-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.93
Rot. Bonds5

About ethyl 2-[(1-phenylcyclopropyl)methyl]pyrimidine-5-carboxylate

ethyl 2-[(1-phenylcyclopropyl)methyl]pyrimidine-5-carboxylate (PubChem CID 159864160) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 2-[(1-phenylcyclopropyl)methyl]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1-phenylcyclopropyl)methyl]pyrimidine-5-carboxylate
PubChem CID159864160
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Nameethyl 2-[(1-phenylcyclopropyl)methyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CC2(c3ccccc3)CC2)nc1
InChIInChI=1S/C17H18N2O2/c1-2-21-16(20)13-11-18-15(19-12-13)10-17(8-9-17)14-6-4-3-5-7-14/h3-7,11-12H,2,8-10H2,1H3
InChIKeyFATHONNYUQQYRV-UHFFFAOYSA-N
XLogP2.93
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[(1-phenylcyclopentyl)methyl]pyrimidine-5-carboxylate;1-phenylcyclopentan-1-amine;hydrochloride
CID 158541933
1-[2-[(1,4-diphenylpiperidin-4-yl)methyl]pyrimidin-5-yl]-2-hydroxyethanone;ethyl 2-[(1,4-diphenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate;ethyl 2-[(4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylate
CID 158186500
ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen
CID 145295764
2-amino-1-[2-[[1-(2-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone;ethyl 2-[[1-(2-methylphenyl)cyclobutyl]methyl]pyrimidine-5-carboxylate
CID 160810535
ethyl 2-[[1-(1,3-benzodioxol-5-yl)cyclobutyl]methyl]pyrimidine-5-carboxylate
CID 158684057
2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid
CID 159705164
ethyl 2-[(1-acetyl-4-phenylpiperidin-4-yl)amino]pyrimidine-5-carboxylate
CID 118016639
1-(2,4-difluorophenyl)cyclopropan-1-amine;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]pyrimidine-5-carboxylate;hydrochloride
CID 158097118
ethyl 2-(9H-fluoren-9-ylmethyl)pyrimidine-5-carboxylate
CID 157435209
2-amino-1-[2-[[1-(3-methylphenyl)cyclobutyl]methyl]pyrimidin-5-yl]ethanone
CID 157226916
ethyl 5-[(1-phenylcyclopentyl)amino]pyridine-3-carboxylate
CID 110453107
CID 158970570
CID 158970570

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-phenylcyclopropyl)methyl]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[(1-phenylcyclopropyl)methyl]pyrimidine-5-carboxylate (CID 159864160) is ethyl 2-[(1-phenylcyclopropyl)methyl]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[(1-phenylcyclopropyl)methyl]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[(1-phenylcyclopropyl)methyl]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(CC2(c3ccccc3)CC2)nc1.
What is the InChIKey of ethyl 2-[(1-phenylcyclopropyl)methyl]pyrimidine-5-carboxylate?
The InChIKey is FATHONNYUQQYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-21-16(20)13-11-18-15(19-12-13)10-17(8-9-17)14-6-4-3-5-7-14/h3-7,11-12H,2,8-10H2,1H3.
What are the key properties of ethyl 2-[(1-phenylcyclopropyl)methyl]pyrimidine-5-carboxylate?
ethyl 2-[(1-phenylcyclopropyl)methyl]pyrimidine-5-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-phenylcyclopropyl)methyl]pyrimidine-5-carboxylate is sourced from PubChem (CID 159864160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).