N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride

C15H25ClN4O3 — CID 154898722

IUPACN-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
SMILESCCC[C@H]1CN(CCOC)C[C@@H]1NC(=O)c1cnc[nH]c1=O.Cl
InChIInChI=1S/C15H24N4O3.ClH/c1-3-4-11-8-19(5-6-22-2)9-13(11)18-15(21)12-7-16-10-17-14(12)20;/h7,10-11,13H,3-6,8-9H2,1-2H3,(H,18,21)(H,16,17,20);1H/t11-,13-;/m0./s1
InChIKeyXTUBFWUREKICJH-JZKFLRDJSA-N
MW344.84 g/mol
LogP0.67
Rot. Bonds7

About N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride

N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride (PubChem CID 154898722) has the molecular formula C15H25ClN4O3 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
PubChem CID154898722
Molecular FormulaC15H25ClN4O3
Molecular Weight344.84 g/mol
Exact Mass344.16
IUPAC NameN-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
SMILESCCC[C@H]1CN(CCOC)C[C@@H]1NC(=O)c1cnc[nH]c1=O.Cl
InChIInChI=1S/C15H24N4O3.ClH/c1-3-4-11-8-19(5-6-22-2)9-13(11)18-15(21)12-7-16-10-17-14(12)20;/h7,10-11,13H,3-6,8-9H2,1-2H3,(H,18,21)(H,16,17,20);1H/t11-,13-;/m0./s1
InChIKeyXTUBFWUREKICJH-JZKFLRDJSA-N
XLogP0.67
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[rel-(3R,4S)-1-(2-methoxyethyl)-4-propyl-3-pyrrolidinyl]-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide hydrochloride
CID 72851751
N-[rel-(3R,4S)-1-(3-methoxypropyl)-4-propyl-3-pyrrolidinyl]-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide hydrochloride
CID 72864856
N-[(1-isopropylpyrrolidin-2-yl)methyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 131897080
N-[(3R*,4S*)-1-(3-methoxypropyl)-4-propyl-3-pyrrolidinyl]-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide
CID 133130865
N-[(3R*,4S*)-1-(2-methoxyethyl)-4-propyl-3-pyrrolidinyl]-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide
CID 133134152
N-[(3R,4S)-1-(3-methoxypropyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 154897662
2-methyl-N-[(3R,4S)-1-(oxan-4-yl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 154897806

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride (CID 154898722) is N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride is CCC[C@H]1CN(CCOC)C[C@@H]1NC(=O)c1cnc[nH]c1=O.Cl.
What is the InChIKey of N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is XTUBFWUREKICJH-JZKFLRDJSA-N. The full InChI is InChI=1S/C15H24N4O3.ClH/c1-3-4-11-8-19(5-6-22-2)9-13(11)18-15(21)12-7-16-10-17-14(12)20;/h7,10-11,13H,3-6,8-9H2,1-2H3,(H,18,21)(H,16,17,20);1H/t11-,13-;/m0./s1.
What are the key properties of N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride?
N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 154898722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).