N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide

C16H26N4O3 — CID 133268135

IUPACN-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCCO[C@@H]1CN(C)C[C@H]1NC(=O)c1cc(CC(C)C)[nH]c(=O)n1
InChIInChI=1S/C16H26N4O3/c1-5-23-14-9-20(4)8-13(14)18-15(21)12-7-11(6-10(2)3)17-16(22)19-12/h7,10,13-14H,5-6,8-9H2,1-4H3,(H,18,21)(H,17,19,22)/t13-,14-/m1/s1
InChIKeyDCUDZXNXSQMNOS-ZIAGYGMSSA-N
MW322.41 g/mol
LogP0.42
Rot. Bonds6

About N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide

N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 133268135) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID133268135
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCCO[C@@H]1CN(C)C[C@H]1NC(=O)c1cc(CC(C)C)[nH]c(=O)n1
InChIInChI=1S/C16H26N4O3/c1-5-23-14-9-20(4)8-13(14)18-15(21)12-7-11(6-10(2)3)17-16(22)19-12/h7,10,13-14H,5-6,8-9H2,1-4H3,(H,18,21)(H,17,19,22)/t13-,14-/m1/s1
InChIKeyDCUDZXNXSQMNOS-ZIAGYGMSSA-N
XLogP0.42
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide (CID 133268135) is N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is CCO[C@@H]1CN(C)C[C@H]1NC(=O)c1cc(CC(C)C)[nH]c(=O)n1.
What is the InChIKey of N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is DCUDZXNXSQMNOS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-5-23-14-9-20(4)8-13(14)18-15(21)12-7-11(6-10(2)3)17-16(22)19-12/h7,10,13-14H,5-6,8-9H2,1-4H3,(H,18,21)(H,17,19,22)/t13-,14-/m1/s1.
What are the key properties of N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide?
N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 133268135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).