6-amino-1-ethyl-5-[[1-(hydroxymethyl)cyclobutyl]amino]pyrimidine-2,4-dione

C11H18N4O3 — CID 115731874

IUPAC6-amino-1-ethyl-5-[[1-(hydroxymethyl)cyclobutyl]amino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(NC2(CO)CCC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-2-15-8(12)7(9(17)13-10(15)18)14-11(6-16)4-3-5-11/h14,16H,2-6,12H2,1H3,(H,13,17,18)
InChIKeyQHBAMUIKRTZNBI-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.53
Rot. Bonds4

About 6-amino-1-ethyl-5-[[1-(hydroxymethyl)cyclobutyl]amino]pyrimidine-2,4-dione

6-amino-1-ethyl-5-[[1-(hydroxymethyl)cyclobutyl]amino]pyrimidine-2,4-dione (PubChem CID 115731874) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-[[1-(hydroxymethyl)cyclobutyl]amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-[[1-(hydroxymethyl)cyclobutyl]amino]pyrimidine-2,4-dione
PubChem CID115731874
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name6-amino-1-ethyl-5-[[1-(hydroxymethyl)cyclobutyl]amino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(NC2(CO)CCC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O3/c1-2-15-8(12)7(9(17)13-10(15)18)14-11(6-16)4-3-5-11/h14,16H,2-6,12H2,1H3,(H,13,17,18)
InChIKeyQHBAMUIKRTZNBI-UHFFFAOYSA-N
XLogP-0.53
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-[[1-(hydroxymethyl)cyclobutyl]amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-[[1-(hydroxymethyl)cyclobutyl]amino]pyrimidine-2,4-dione (CID 115731874) is 6-amino-1-ethyl-5-[[1-(hydroxymethyl)cyclobutyl]amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-[[1-(hydroxymethyl)cyclobutyl]amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-[[1-(hydroxymethyl)cyclobutyl]amino]pyrimidine-2,4-dione is CCn1c(N)c(NC2(CO)CCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-[[1-(hydroxymethyl)cyclobutyl]amino]pyrimidine-2,4-dione?
The InChIKey is QHBAMUIKRTZNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-2-15-8(12)7(9(17)13-10(15)18)14-11(6-16)4-3-5-11/h14,16H,2-6,12H2,1H3,(H,13,17,18).
What are the key properties of 6-amino-1-ethyl-5-[[1-(hydroxymethyl)cyclobutyl]amino]pyrimidine-2,4-dione?
6-amino-1-ethyl-5-[[1-(hydroxymethyl)cyclobutyl]amino]pyrimidine-2,4-dione has a molecular weight of 254.29 g/mol, XLogP of -0.53, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-[[1-(hydroxymethyl)cyclobutyl]amino]pyrimidine-2,4-dione is sourced from PubChem (CID 115731874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).