6-tert-butyl-2-oxo-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrimidine-4-carboxamide

C16H26N4O2 — CID 99943031

IUPAC6-tert-butyl-2-oxo-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrimidine-4-carboxamide
SMILESCCCN1CC[C@H](NC(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)C1
InChIInChI=1S/C16H26N4O2/c1-5-7-20-8-6-11(10-20)17-14(21)12-9-13(16(2,3)4)19-15(22)18-12/h9,11H,5-8,10H2,1-4H3,(H,17,21)(H,18,19,22)/t11-/m0/s1
InChIKeyZUGXMXBUBXODEE-NSHDSACASA-N
MW306.41 g/mol
LogP1.28
Rot. Bonds4

About 6-tert-butyl-2-oxo-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrimidine-4-carboxamide

6-tert-butyl-2-oxo-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrimidine-4-carboxamide (PubChem CID 99943031) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-tert-butyl-2-oxo-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-2-oxo-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrimidine-4-carboxamide
PubChem CID99943031
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name6-tert-butyl-2-oxo-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrimidine-4-carboxamide
SMILESCCCN1CC[C@H](NC(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)C1
InChIInChI=1S/C16H26N4O2/c1-5-7-20-8-6-11(10-20)17-14(21)12-9-13(16(2,3)4)19-15(22)18-12/h9,11H,5-8,10H2,1-4H3,(H,17,21)(H,18,19,22)/t11-/m0/s1
InChIKeyZUGXMXBUBXODEE-NSHDSACASA-N
XLogP1.28
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-oxo-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-tert-butyl-2-oxo-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrimidine-4-carboxamide (CID 99943031) is 6-tert-butyl-2-oxo-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-tert-butyl-2-oxo-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-tert-butyl-2-oxo-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrimidine-4-carboxamide is CCCN1CC[C@H](NC(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)C1.
What is the InChIKey of 6-tert-butyl-2-oxo-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrimidine-4-carboxamide?
The InChIKey is ZUGXMXBUBXODEE-NSHDSACASA-N. The full InChI is InChI=1S/C16H26N4O2/c1-5-7-20-8-6-11(10-20)17-14(21)12-9-13(16(2,3)4)19-15(22)18-12/h9,11H,5-8,10H2,1-4H3,(H,17,21)(H,18,19,22)/t11-/m0/s1.
What are the key properties of 6-tert-butyl-2-oxo-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrimidine-4-carboxamide?
6-tert-butyl-2-oxo-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrimidine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-oxo-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 99943031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).