tert-butyl N-[2-[2-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate

C16H26N4O2 — CID 144936831

IUPACtert-butyl N-[2-[2-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate
SMILESCc1cnc(C2CCCN2CCNC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C16H26N4O2/c1-12-10-18-14(19-11-12)13-6-5-8-20(13)9-7-17-15(21)22-16(2,3)4/h10-11,13H,5-9H2,1-4H3,(H,17,21)
InChIKeyBWXGWBCISJDWTR-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.45
Rot. Bonds4

About tert-butyl N-[2-[2-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate

tert-butyl N-[2-[2-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate (PubChem CID 144936831) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate
PubChem CID144936831
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Nametert-butyl N-[2-[2-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate
SMILESCc1cnc(C2CCCN2CCNC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C16H26N4O2/c1-12-10-18-14(19-11-12)13-6-5-8-20(13)9-7-17-15(21)22-16(2,3)4/h10-11,13H,5-9H2,1-4H3,(H,17,21)
InChIKeyBWXGWBCISJDWTR-UHFFFAOYSA-N
XLogP2.45
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[2-(5-iodopyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate
CID 118429390
tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate
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tert-butyl N-[[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]carbamate
CID 133403597
tert-butyl N-[2-[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]carbamate
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(2S)-1-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl]pyrrolidine-2-carboxylic acid
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tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate
CID 145199582
tert-butyl N-[3-[(1-methylazepan-4-yl)amino]propyl]carbamate
CID 103859795
tert-butyl N-[4-[(2S)-2-carbamoylpyrrolidin-1-yl]butyl]carbamate
CID 54459116
tert-butyl (2S)-2-[[(5-methylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 123611889
tert-butyl N-[2-[2-[[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl]oxy]ethylamino]-2-oxoethyl]carbamate
CID 123619076
tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate
CID 143014602
tert-butyl N-[(3R)-1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate
CID 164950783

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate (CID 144936831) is tert-butyl N-[2-[2-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate is Cc1cnc(C2CCCN2CCNC(=O)OC(C)(C)C)nc1.
What is the InChIKey of tert-butyl N-[2-[2-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate?
The InChIKey is BWXGWBCISJDWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-10-18-14(19-11-12)13-6-5-8-20(13)9-7-17-15(21)22-16(2,3)4/h10-11,13H,5-9H2,1-4H3,(H,17,21).
What are the key properties of tert-butyl N-[2-[2-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[2-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(5-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 144936831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).