6-amino-5-[2-(3,3-dimethylpyrrolidin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione

C16H26N4O3 — CID 86778046

IUPAC6-amino-5-[2-(3,3-dimethylpyrrolidin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CN2CCC(C)(C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N4O3/c1-10(2)7-20-13(17)12(14(22)18-15(20)23)11(21)8-19-6-5-16(3,4)9-19/h10H,5-9,17H2,1-4H3,(H,18,22,23)
InChIKeyINAXMTCEFJPIBD-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.69
Rot. Bonds5

About 6-amino-5-[2-(3,3-dimethylpyrrolidin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[2-(3,3-dimethylpyrrolidin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 86778046) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-amino-5-[2-(3,3-dimethylpyrrolidin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(3,3-dimethylpyrrolidin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID86778046
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name6-amino-5-[2-(3,3-dimethylpyrrolidin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CN2CCC(C)(C)C2)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N4O3/c1-10(2)7-20-13(17)12(14(22)18-15(20)23)11(21)8-19-6-5-16(3,4)9-19/h10H,5-9,17H2,1-4H3,(H,18,22,23)
InChIKeyINAXMTCEFJPIBD-UHFFFAOYSA-N
XLogP0.69
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(3,3-dimethylpyrrolidin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(3,3-dimethylpyrrolidin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 86778046) is 6-amino-5-[2-(3,3-dimethylpyrrolidin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(3,3-dimethylpyrrolidin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(3,3-dimethylpyrrolidin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(C(=O)CN2CCC(C)(C)C2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-(3,3-dimethylpyrrolidin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is INAXMTCEFJPIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-10(2)7-20-13(17)12(14(22)18-15(20)23)11(21)8-19-6-5-16(3,4)9-19/h10H,5-9,17H2,1-4H3,(H,18,22,23).
What are the key properties of 6-amino-5-[2-(3,3-dimethylpyrrolidin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[2-(3,3-dimethylpyrrolidin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 322.41 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(3,3-dimethylpyrrolidin-1-yl)acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 86778046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).