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

C15H24N4O3 — CID 72851751

IUPACN-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCC[C@H]1CN(CCOC)C[C@@H]1NC(=O)c1cnc[nH]c1=O
InChIInChI=1S/C15H24N4O3/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)/t11-,13-/m0/s1
InChIKeyQGCLEFORCHCMCF-AAEUAGOBSA-N
MW308.38 g/mol
LogP0.25
Rot. Bonds7

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

N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72851751) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID72851751
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCC[C@H]1CN(CCOC)C[C@@H]1NC(=O)c1cnc[nH]c1=O
InChIInChI=1S/C15H24N4O3/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)/t11-,13-/m0/s1
InChIKeyQGCLEFORCHCMCF-AAEUAGOBSA-N
XLogP0.25
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[rel-(3R,4S)-1-(3-methoxypropyl)-4-propyl-3-pyrrolidinyl]-6-oxo-1,6-dihydro-5-pyrimidinecarboxamide hydrochloride
CID 72864856
5-{[(3S*,4R*)-3-(dimethylamino)-4-isopropyl-1-pyrrolidinyl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 72879237
N'-{(3S*,4R*)-4-isopropyl-1-[(6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-3-pyrrolidinyl}-N,N-dimethylsulfamide
CID 72922486
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
N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 154898722

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?
The IUPAC name of N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 72851751) is N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide is CCC[C@H]1CN(CCOC)C[C@@H]1NC(=O)c1cnc[nH]c1=O.
What is the InChIKey of N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is QGCLEFORCHCMCF-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H24N4O3/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)/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?
N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.25, 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 is sourced from PubChem (CID 72851751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).