tert-butyl N-[(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]carbamate

C15H23FN4O2 — CID 133420484

IUPACtert-butyl N-[(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]carbamate
SMILESCCc1ncnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1F
InChIInChI=1S/C15H23FN4O2/c1-5-11-12(16)13(18-9-17-11)20-7-6-10(8-20)19-14(21)22-15(2,3)4/h9-10H,5-8H2,1-4H3,(H,19,21)/t10-/m1/s1
InChIKeyQZBOIBTZAZHZRC-SNVBAGLBSA-N
MW310.37 g/mol
LogP2.28
Rot. Bonds3

About tert-butyl N-[(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]carbamate

tert-butyl N-[(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]carbamate (PubChem CID 133420484) has the molecular formula C15H23FN4O2 and a molecular weight of 310.37 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]carbamate
PubChem CID133420484
Molecular FormulaC15H23FN4O2
Molecular Weight310.37 g/mol
Exact Mass310.18
IUPAC Nametert-butyl N-[(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]carbamate
SMILESCCc1ncnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1F
InChIInChI=1S/C15H23FN4O2/c1-5-11-12(16)13(18-9-17-11)20-7-6-10(8-20)19-14(21)22-15(2,3)4/h9-10H,5-8H2,1-4H3,(H,19,21)/t10-/m1/s1
InChIKeyQZBOIBTZAZHZRC-SNVBAGLBSA-N
XLogP2.28
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl (S)-3-((5,6,7,8-tetrahydropyrido[4,3-D]pyrimidin-4-YL)amino)pyrrolidine-1-carboxylate
CID 57495324
3-{2-[(2-Amino-6-ethyl-5-methylpyrimidin-4-YL)amino]ethyl}-1,3-oxazolidin-2-one
CID 72923956
1-[1-(6-Ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-3-methylurea
CID 121537353
6-ethyl-5-fluoro-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171359955
tert-butyl N-[3-[2,6-diamino-5-(trifluoromethyl)pyrimidin-4-yl]propyl]carbamate
CID 175337404
(2R)-1-(azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propan-1-one
CID 178127103
tert-Butyl (3S)-3-[6-(trifluoromethyl)pyrimidin-4-yl]aminopyrrolidine-1-carboxylate
CID 56965601
(R)-tert-Butyl (1-(6-(trifluoromethyl)pyrimidin-4-yl)pyrrolidin-3-yl)carbamate
CID 56965609
(S)-tert-Butyl (1-(6-(trifluoromethyl)pyrimidin-4-yl)pyrrolidin-3-yl)carbamate
CID 56965621
(R)-tert-Butyl 3-((6-(trifluoromethyl)pyrimidin-4-yl)amino)pyrrolidine-1-carboxylate
CID 76451331
tert-butyl N-{1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl}carbamate
CID 76451336
N-ethyl-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide
CID 84597127

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]carbamate (CID 133420484) is tert-butyl N-[(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]carbamate is CCc1ncnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1F.
What is the InChIKey of tert-butyl N-[(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is QZBOIBTZAZHZRC-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H23FN4O2/c1-5-11-12(16)13(18-9-17-11)20-7-6-10(8-20)19-14(21)22-15(2,3)4/h9-10H,5-8H2,1-4H3,(H,19,21)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 310.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 133420484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).