6-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,4-dione

C11H18N4O2 — CID 4908671

IUPAC6-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,4-dione
SMILESCCN1CCCC1Cn1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-2-14-5-3-4-8(14)7-15-9(12)6-10(16)13-11(15)17/h6,8H,2-5,7,12H2,1H3,(H,13,16,17)
InChIKeyHAZLZCYQYGQDPJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.40
Rot. Bonds3

About 6-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,4-dione

6-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,4-dione (PubChem CID 4908671) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,4-dione
PubChem CID4908671
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name6-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,4-dione
SMILESCCN1CCCC1Cn1c(N)cc(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-2-14-5-3-4-8(14)7-15-9(12)6-10(16)13-11(15)17/h6,8H,2-5,7,12H2,1H3,(H,13,16,17)
InChIKeyHAZLZCYQYGQDPJ-UHFFFAOYSA-N
XLogP-0.40
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,4-dione (CID 4908671) is 6-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,4-dione is CCN1CCCC1Cn1c(N)cc(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is HAZLZCYQYGQDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-14-5-3-4-8(14)7-15-9(12)6-10(16)13-11(15)17/h6,8H,2-5,7,12H2,1H3,(H,13,16,17).
What are the key properties of 6-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,4-dione?
6-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 238.29 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 4908671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).