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

C14H22N4O2 — CID 79383893

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)C1CCCN1c1ncccn1
InChIInChI=1S/C14H22N4O2/c1-14(2,20)10-17(3)12(19)11-6-4-9-18(11)13-15-7-5-8-16-13/h5,7-8,11,20H,4,6,9-10H2,1-3H3
InChIKeyVFBUHANBSLIIFD-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.67
Rot. Bonds4

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

N-(2-hydroxy-2-methylpropyl)-N-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (PubChem CID 79383893) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
PubChem CID79383893
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)C1CCCN1c1ncccn1
InChIInChI=1S/C14H22N4O2/c1-14(2,20)10-17(3)12(19)11-6-4-9-18(11)13-15-7-5-8-16-13/h5,7-8,11,20H,4,6,9-10H2,1-3H3
InChIKeyVFBUHANBSLIIFD-UHFFFAOYSA-N
XLogP0.67
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (CID 79383893) is N-(2-hydroxy-2-methylpropyl)-N-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is CN(CC(C)(C)O)C(=O)C1CCCN1c1ncccn1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is VFBUHANBSLIIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,20)10-17(3)12(19)11-6-4-9-18(11)13-15-7-5-8-16-13/h5,7-8,11,20H,4,6,9-10H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 79383893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).