tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]carbamate

C24H28N4O2 — CID 25218323

IUPACtert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C24H28N4O2/c1-24(2,3)30-23(29)26-15-17-11-13-28(16-17)22-25-12-10-21(27-22)20-9-8-18-6-4-5-7-19(18)14-20/h4-10,12,14,17H,11,13,15-16H2,1-3H3,(H,26,29)
InChIKeyFCSAHQYRZURFBC-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.65
Rot. Bonds4

About tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]carbamate

tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]carbamate (PubChem CID 25218323) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]carbamate
PubChem CID25218323
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Nametert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C24H28N4O2/c1-24(2,3)30-23(29)26-15-17-11-13-28(16-17)22-25-12-10-21(27-22)20-9-8-18-6-4-5-7-19(18)14-20/h4-10,12,14,17H,11,13,15-16H2,1-3H3,(H,26,29)
InChIKeyFCSAHQYRZURFBC-UHFFFAOYSA-N
XLogP4.65
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine
CID 25199517
1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-amine
CID 25216880
1-Ethyl-3-(8-methyl-5-pyrimidin-4-ylisoquinolin-3-yl)urea
CID 67449631
(4S)-3-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489723
(4S)-4-propan-2-yl-3-[2-[[(1S)-1-(4-pyridin-2-ylphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89489859
(4S)-3-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490150
N-((1-(4-(naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methyl)acetamide
CID 44551057
(4S)-3-[2-[[(1S)-1-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 71543220
(4S)-3-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 89489727
(4R)-3-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 89489734
(4S)-3-[5-methyl-2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489746
(4R)-3-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]pyrimidin-4-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 89489749

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]carbamate (CID 25218323) is tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCN(c2nccc(-c3ccc4ccccc4c3)n2)C1.
What is the InChIKey of tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]carbamate?
The InChIKey is FCSAHQYRZURFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-24(2,3)30-23(29)26-15-17-11-13-28(16-17)22-25-12-10-21(27-22)20-9-8-18-6-4-5-7-19(18)14-20/h4-10,12,14,17H,11,13,15-16H2,1-3H3,(H,26,29).
What are the key properties of tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]carbamate?
tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]carbamate has a molecular weight of 404.51 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]carbamate is sourced from PubChem (CID 25218323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).