N-[(2R,3S)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide

C17H18N4O2 — CID 154641908

IUPACN-[(2R,3S)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide
SMILESCC1(C)C(=O)N[C@H](c2ccccc2)[C@H]1NC(=O)c1ncccn1
InChIInChI=1S/C17H18N4O2/c1-17(2)13(21-15(22)14-18-9-6-10-19-14)12(20-16(17)23)11-7-4-3-5-8-11/h3-10,12-13H,1-2H3,(H,20,23)(H,21,22)/t12-,13-/m1/s1
InChIKeyVGZSVNULEXMEEK-CHWSQXEVSA-N
MW310.36 g/mol
LogP1.47
Rot. Bonds3

About N-[(2R,3S)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide

N-[(2R,3S)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide (PubChem CID 154641908) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(2R,3S)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide
PubChem CID154641908
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[(2R,3S)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide
SMILESCC1(C)C(=O)N[C@H](c2ccccc2)[C@H]1NC(=O)c1ncccn1
InChIInChI=1S/C17H18N4O2/c1-17(2)13(21-15(22)14-18-9-6-10-19-14)12(20-16(17)23)11-7-4-3-5-8-11/h3-10,12-13H,1-2H3,(H,20,23)(H,21,22)/t12-,13-/m1/s1
InChIKeyVGZSVNULEXMEEK-CHWSQXEVSA-N
XLogP1.47
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
The IUPAC name of N-[(2R,3S)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide (CID 154641908) is N-[(2R,3S)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(2R,3S)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(2R,3S)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide is CC1(C)C(=O)N[C@H](c2ccccc2)[C@H]1NC(=O)c1ncccn1.
What is the InChIKey of N-[(2R,3S)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
The InChIKey is VGZSVNULEXMEEK-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-17(2)13(21-15(22)14-18-9-6-10-19-14)12(20-16(17)23)11-7-4-3-5-8-11/h3-10,12-13H,1-2H3,(H,20,23)(H,21,22)/t12-,13-/m1/s1.
What are the key properties of N-[(2R,3S)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
N-[(2R,3S)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 154641908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).