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

C15H24N4O3 — CID 77081382

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]propanamide
SMILESCC(C)N1CCCC1CNC(=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)
InChIKeyVJHVZSVZOYYPLJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.08
Rot. Bonds6

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

3-(2,4-dioxopyrimidin-1-yl)-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]propanamide (PubChem CID 77081382) 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-[(1-propan-2-ylpyrrolidin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]propanamide
PubChem CID77081382
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]propanamide
SMILESCC(C)N1CCCC1CNC(=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)
InChIKeyVJHVZSVZOYYPLJ-UHFFFAOYSA-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-cyclopentyl-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108788640
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 98184565
3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide
CID 100981619
N-[(1R,3R)-3-aminocyclopentyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide;hydrochloride
CID 154888784
3-(2,4-dioxopyrimidin-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 108810774
3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide
CID 108788631
3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 91789350
3-(2,4-dioxopyrimidin-1-yl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide
CID 90548872
N-[[1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide
CID 131920487
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-methoxyindol-1-yl)propanamide
CID 97265260
N-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 35569669
2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-4-methylsulfanylbutanoic acid
CID 108788660

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]propanamide (CID 77081382) is 3-(2,4-dioxopyrimidin-1-yl)-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]propanamide is CC(C)N1CCCC1CNC(=O)CCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]propanamide?
The InChIKey is VJHVZSVZOYYPLJ-UHFFFAOYSA-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).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-[(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-[(1-propan-2-ylpyrrolidin-2-yl)methyl]propanamide is sourced from PubChem (CID 77081382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).