3-(2,4-dioxopyrimidin-1-yl)-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]propanamide

C15H24N4O3 — CID 99928890

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]propanamide
SMILESCC(C)N1CCC[C@H]1CNC(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H24N4O3/c1-11(2)19-7-3-4-12(19)10-16-13(20)5-8-18-9-6-14(21)17-15(18)22/h6,9,11-12H,3-5,7-8,10H2,1-2H3,(H,16,20)(H,17,21,22)/t12-/m0/s1
InChIKeyVJHVZSVZOYYPLJ-LBPRGKRZSA-N
MW308.38 g/mol
LogP-0.08
Rot. Bonds6

About 3-(2,4-dioxopyrimidin-1-yl)-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]propanamide (PubChem CID 99928890) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]propanamide
PubChem CID99928890
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]propanamide
SMILESCC(C)N1CCC[C@H]1CNC(=O)CCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H24N4O3/c1-11(2)19-7-3-4-12(19)10-16-13(20)5-8-18-9-6-14(21)17-15(18)22/h6,9,11-12H,3-5,7-8,10H2,1-2H3,(H,16,20)(H,17,21,22)/t12-/m0/s1
InChIKeyVJHVZSVZOYYPLJ-LBPRGKRZSA-N
XLogP-0.08
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-((1-ethylpyrrolidin-2-yl)methyl)-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 45280809
6-(3-Aminopyrrolidin-1-yl)-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione dihydrochloride
CID 132343958
6-[(3R)-3-aminopyrrolidin-1-yl]-3-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CID 145867708
N'-{(3S*,4R*)-1-[3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanoyl]-4-isopropyl-3-pyrrolidinyl}-N,N-dimethylurea
CID 72899538
N-{1-[2-(4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)ethyl]pyrrolidin-3-yl}acetamide
CID 91838023
6-(3-Aminopyrrolidin-1-yl)-3-methylpyrimidine-2,4(1H,3H)-dione
CID 56770225
6-[(3R)-3-aminopyrrolidin-1-yl]-3-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 145867667
1-{3-[(1S*,6R*)-3,9-diazabicyclo[4.2.1]non-9-yl]-3-oxopropyl}pyrimidine-2,4(1H,3H)-dione
CID 50981852
1-{2-oxo-2-[3-(1-pyrrolidinyl)-1-piperidinyl]ethyl}-2,4(1H,3H)-pyrimidinedione
CID 56909141
3-(Uracil-1-yl)pyrrolidine
CID 11506781
6-Oxo-2-(1-piperidin-1-ylpropyl)-1,2-dihydropyrimidine-3-carboxamide
CID 69859468
1-[(3R,5S)-1-[(2S)-3-amino-2-methylpropyl]-5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]pyrrolidin-3-yl]-3-tert-butylurea
CID 90210452

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]propanamide (CID 99928890) is 3-(2,4-dioxopyrimidin-1-yl)-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]propanamide is CC(C)N1CCC[C@H]1CNC(=O)CCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]propanamide?
The InChIKey is VJHVZSVZOYYPLJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-11(2)19-7-3-4-12(19)10-16-13(20)5-8-18-9-6-14(21)17-15(18)22/h6,9,11-12H,3-5,7-8,10H2,1-2H3,(H,16,20)(H,17,21,22)/t12-/m0/s1.
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]propanamide has a molecular weight of 308.38 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 99928890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).