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

C23H26N4O2 — CID 25216606

IUPACtert-butyl N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(c2nccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C23H26N4O2/c1-23(2,3)29-22(28)25-19-11-13-27(15-19)21-24-12-10-20(26-21)18-9-8-16-6-4-5-7-17(16)14-18/h4-10,12,14,19H,11,13,15H2,1-3H3,(H,25,28)/t19-/m1/s1
InChIKeyJINKHHDCSMHVTL-LJQANCHMSA-N
MW390.49 g/mol
LogP4.40
Rot. Bonds3

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

tert-butyl N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate (PubChem CID 25216606) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate
PubChem CID25216606
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Nametert-butyl N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(c2nccc(-c3ccc4ccccc4c3)n2)C1
InChIInChI=1S/C23H26N4O2/c1-23(2,3)29-22(28)25-19-11-13-27(15-19)21-24-12-10-20(26-21)18-9-8-16-6-4-5-7-17(16)14-18/h4-10,12,14,19H,11,13,15H2,1-3H3,(H,25,28)/t19-/m1/s1
InChIKeyJINKHHDCSMHVTL-LJQANCHMSA-N
XLogP4.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-amine
CID 25216880
tert-butyl N-[[5-(4-phenylphenyl)-1H-imidazol-2-yl]methyl]carbamate
CID 44439648
tert-butyl2-(4-[1,1'-biphenyl]-4-yl-1H-imidazol-2-yl)ethylcarbamate
CID 44439649
tert-butyl N-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]propyl]carbamate
CID 44439650
(4S)-3-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489723
(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
2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-(4-oxohexyl)-N-phenylpiperazine-1-carboxamide
CID 135151623
N-[1-[4-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)ethynyl]phenyl]propan-2-yl]acetamide
CID 66635022
N-[1-[4-[2-[2-[benzyl(methyl)amino]pyrimidin-4-yl]ethynyl]phenyl]propan-2-yl]acetamide
CID 66635516
3-[5-Fluoro-2-[1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 71541905
(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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate (CID 25216606) is tert-butyl N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCN(c2nccc(-c3ccc4ccccc4c3)n2)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is JINKHHDCSMHVTL-LJQANCHMSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-23(2,3)29-22(28)25-19-11-13-27(15-19)21-24-12-10-20(26-21)18-9-8-16-6-4-5-7-17(16)14-18/h4-10,12,14,19H,11,13,15H2,1-3H3,(H,25,28)/t19-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 390.49 g/mol, XLogP of 4.40, 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-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 25216606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).