5-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione

C14H20N4O3 — CID 72858431

IUPAC5-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2C[C@H](C3CC3)[C@@H](N)C2)c1=O
InChIInChI=1S/C14H20N4O3/c1-17-13(20)9(5-16-14(17)21)4-12(19)18-6-10(8-2-3-8)11(15)7-18/h5,8,10-11H,2-4,6-7,15H2,1H3,(H,16,21)/t10-,11+/m1/s1
InChIKeyQVMJBEUNZHYWKE-MNOVXSKESA-N
MW292.34 g/mol
LogP-1.19
Rot. Bonds3

About 5-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione

5-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 72858431) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID72858431
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name5-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2C[C@H](C3CC3)[C@@H](N)C2)c1=O
InChIInChI=1S/C14H20N4O3/c1-17-13(20)9(5-16-14(17)21)4-12(19)18-6-10(8-2-3-8)11(15)7-18/h5,8,10-11H,2-4,6-7,15H2,1H3,(H,16,21)/t10-,11+/m1/s1
InChIKeyQVMJBEUNZHYWKE-MNOVXSKESA-N
XLogP-1.19
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

N-{(3R*,4S*)-4-cyclopropyl-1-[(diethylamino)carbonyl]pyrrolidin-3-yl}-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 72882371
N-[(3R*,4S*)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 72919470
5-[2-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 72918964
5-[[[1-(3-aminopropyl)-4-tert-butylpyrrolidin-2-yl]methylamino]methyl]-1H-pyrimidine-2,4-dione
CID 132234546
N-[(3S,4R)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 133122006
N-[(3S)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 139474549
N-[(3S,4R)-4-cyclopropyl-1-(3-methylbutanoyl)pyrrolidin-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide;methane
CID 161839293
1-[2-(Cyclopentylmethylamino)ethyl]-5-ethylpyrimidine-2,4-dione
CID 66328156
5-Ethyl-1-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidine-2,4-dione
CID 66328160
5-Ethyl-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione
CID 66328932
1-[2-(1-Cyclopropylethylamino)ethyl]-5-ethylpyrimidine-2,4-dione
CID 66329530
5-{2-[(3S*,4R*)-3-(dimethylamino)-4-propyl-1-pyrrolidinyl]-2-oxoethyl}-2,4(1H,3H)-pyrimidinedione
CID 70761574

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione (CID 72858431) is 5-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(CC(=O)N2C[C@H](C3CC3)[C@@H](N)C2)c1=O.
What is the InChIKey of 5-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is QVMJBEUNZHYWKE-MNOVXSKESA-N. The full InChI is InChI=1S/C14H20N4O3/c1-17-13(20)9(5-16-14(17)21)4-12(19)18-6-10(8-2-3-8)11(15)7-18/h5,8,10-11H,2-4,6-7,15H2,1H3,(H,16,21)/t10-,11+/m1/s1.
What are the key properties of 5-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione?
5-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 292.34 g/mol, XLogP of -1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72858431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).