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

C15H24N4O3 — CID 133492699

IUPACtert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate
SMILESCCOc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)ncn1
InChIInChI=1S/C15H24N4O3/c1-5-21-13-8-12(16-10-17-13)19-7-6-11(9-19)18-14(20)22-15(2,3)4/h8,10-11H,5-7,9H2,1-4H3,(H,18,20)/t11-/m1/s1
InChIKeyQQODRMCSXFEJHE-LLVKDONJSA-N
MW308.38 g/mol
LogP1.98
Rot. Bonds4

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

tert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate (PubChem CID 133492699) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate
PubChem CID133492699
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Nametert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate
SMILESCCOc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)ncn1
InChIInChI=1S/C15H24N4O3/c1-5-21-13-8-12(16-10-17-13)19-7-6-11(9-19)18-14(20)22-15(2,3)4/h8,10-11H,5-7,9H2,1-4H3,(H,18,20)/t11-/m1/s1
InChIKeyQQODRMCSXFEJHE-LLVKDONJSA-N
XLogP1.98
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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tert-butyl N-[1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
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tert-butyl N-[1-(6-pentan-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate
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tert-butyl N-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]carbamate
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tert-butyl N-[1-(6-tert-butylpyrimidin-4-yl)piperidin-4-yl]carbamate
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tert-butyl N-[1-[6-(difluoromethyl)pyrimidin-4-yl]piperidin-3-yl]carbamate
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tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
CID 66569666
tert-butyl N-[1-[6-(2-methoxyethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate
CID 126850102
tert-butyl N-[(3S)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634683
tert-butyl N-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]carbamate
CID 133470611
tert-butyl N-[(3R)-1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 71634685

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate (CID 133492699) is tert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate is CCOc1cc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)ncn1.
What is the InChIKey of tert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is QQODRMCSXFEJHE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-5-21-13-8-12(16-10-17-13)19-7-6-11(9-19)18-14(20)22-15(2,3)4/h8,10-11H,5-7,9H2,1-4H3,(H,18,20)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 133492699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).