N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

C15H24N4O2 — CID 79376888

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CCCN1c1ncccn1
InChIInChI=1S/C15H24N4O2/c1-4-18(11-15(2,3)21)13(20)12-7-5-10-19(12)14-16-8-6-9-17-14/h6,8-9,12,21H,4-5,7,10-11H2,1-3H3
InChIKeyDVYPMKNHLCAAGS-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.06
Rot. Bonds5

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (PubChem CID 79376888) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
PubChem CID79376888
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CCCN1c1ncccn1
InChIInChI=1S/C15H24N4O2/c1-4-18(11-15(2,3)21)13(20)12-7-5-10-19(12)14-16-8-6-9-17-14/h6,8-9,12,21H,4-5,7,10-11H2,1-3H3
InChIKeyDVYPMKNHLCAAGS-UHFFFAOYSA-N
XLogP1.06
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (CID 79376888) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is CCN(CC(C)(C)O)C(=O)C1CCCN1c1ncccn1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is DVYPMKNHLCAAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-18(11-15(2,3)21)13(20)12-7-5-10-19(12)14-16-8-6-9-17-14/h6,8-9,12,21H,4-5,7,10-11H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 79376888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).