tert-butyl N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]carbamate

C19H24N4O3 — CID 135630848

IUPACtert-butyl N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2nc(-c3ccccc3)cc(=O)[nH]2)C1
InChIInChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)20-14-9-10-23(12-14)17-21-15(11-16(24)22-17)13-7-5-4-6-8-13/h4-8,11,14H,9-10,12H2,1-3H3,(H,20,25)(H,21,22,24)
InChIKeyRNKMXZABEILKJM-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.54
Rot. Bonds3

About tert-butyl N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]carbamate

tert-butyl N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]carbamate (PubChem CID 135630848) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is tert-butyl N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]carbamate
PubChem CID135630848
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Nametert-butyl N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2nc(-c3ccccc3)cc(=O)[nH]2)C1
InChIInChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)20-14-9-10-23(12-14)17-21-15(11-16(24)22-17)13-7-5-4-6-8-13/h4-8,11,14H,9-10,12H2,1-3H3,(H,20,25)(H,21,22,24)
InChIKeyRNKMXZABEILKJM-UHFFFAOYSA-N
XLogP2.54
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]carbamate (CID 135630848) is tert-butyl N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2nc(-c3ccccc3)cc(=O)[nH]2)C1.
What is the InChIKey of tert-butyl N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is RNKMXZABEILKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)20-14-9-10-23(12-14)17-21-15(11-16(24)22-17)13-7-5-4-6-8-13/h4-8,11,14H,9-10,12H2,1-3H3,(H,20,25)(H,21,22,24).
What are the key properties of tert-butyl N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 356.43 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 135630848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).