4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine

C15H20FN5 — CID 75438009

IUPAC4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CCCC2Cn2ccnc2C)c1F
InChIInChI=1S/C15H20FN5/c1-3-13-14(16)15(19-10-18-13)21-7-4-5-12(21)9-20-8-6-17-11(20)2/h6,8,10,12H,3-5,7,9H2,1-2H3
InChIKeyZODZAXMIGRDAPE-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.35
Rot. Bonds4

About 4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine

4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine (PubChem CID 75438009) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
PubChem CID75438009
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CCCC2Cn2ccnc2C)c1F
InChIInChI=1S/C15H20FN5/c1-3-13-14(16)15(19-10-18-13)21-7-4-5-12(21)9-20-8-6-17-11(20)2/h6,8,10,12H,3-5,7,9H2,1-2H3
InChIKeyZODZAXMIGRDAPE-UHFFFAOYSA-N
XLogP2.35
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,6S)-4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
CID 99714419
1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-2-amine
CID 112748054
5-methyl-2-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 133403923
2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline
CID 100692414
4-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoline
CID 99837183
2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine
CID 167299183
N-methyl-6-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide
CID 100691756
[1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidin-2-yl]methanamine
CID 114045745
6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122048644
2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine
CID 100692267
4-ethyl-5-fluoro-6-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine
CID 124885111
[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 103865791

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine (CID 75438009) is 4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine is CCc1ncnc(N2CCCC2Cn2ccnc2C)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine?
The InChIKey is ZODZAXMIGRDAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5/c1-3-13-14(16)15(19-10-18-13)21-7-4-5-12(21)9-20-8-6-17-11(20)2/h6,8,10,12H,3-5,7,9H2,1-2H3.
What are the key properties of 4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine?
4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine has a molecular weight of 289.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 75438009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).