5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione

C10H14N4O3 — CID 103575831

IUPAC5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCC1CN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC1N
InChIInChI=1S/C10H14N4O3/c1-5-3-14(4-7(5)11)9(16)6-2-12-10(17)13-8(6)15/h2,5,7H,3-4,11H2,1H3,(H2,12,13,15,17)
InChIKeyPPCPBXXFTZOJLV-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.52
Rot. Bonds1

About 5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione

5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 103575831) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID103575831
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCC1CN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC1N
InChIInChI=1S/C10H14N4O3/c1-5-3-14(4-7(5)11)9(16)6-2-12-10(17)13-8(6)15/h2,5,7H,3-4,11H2,1H3,(H2,12,13,15,17)
InChIKeyPPCPBXXFTZOJLV-UHFFFAOYSA-N
XLogP-1.52
TPSA112.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-1H-pyrimidine-2,4-dione
CID 43596052
(3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone
CID 103575825
5-[(3R)-3-ethyl-4-propan-2-ylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 99949676
5-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyrimidine-2,4-dione
CID 102680188
ethyl (3S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-3-carboxylate
CID 115535610
5-[(4R)-3,3-dimethyl-4-phenylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 126427938
5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 114799275
5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 102785247
(3-amino-4-methylpyrrolidin-1-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107963765
5-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 66061161
2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]acetic acid
CID 79615225
(3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 103576007

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione (CID 103575831) is 5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione is CC1CN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC1N.
What is the InChIKey of 5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is PPCPBXXFTZOJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-5-3-14(4-7(5)11)9(16)6-2-12-10(17)13-8(6)15/h2,5,7H,3-4,11H2,1H3,(H2,12,13,15,17).
What are the key properties of 5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 238.25 g/mol, XLogP of -1.52, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 103575831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).