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

C12H20N4O3 — CID 60648923

IUPAC6-amino-1-ethyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione
SMILESCCn1c(N)c(N2CCCCC2CO)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O3/c1-2-15-10(13)9(11(18)14-12(15)19)16-6-4-3-5-8(16)7-17/h8,17H,2-7,13H2,1H3,(H,14,18,19)
InChIKeyVBPUMSYKWURNTF-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.51
Rot. Bonds3

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

6-amino-1-ethyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione (PubChem CID 60648923) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione
PubChem CID60648923
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name6-amino-1-ethyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione
SMILESCCn1c(N)c(N2CCCCC2CO)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N4O3/c1-2-15-10(13)9(11(18)14-12(15)19)16-6-4-3-5-8(16)7-17/h8,17H,2-7,13H2,1H3,(H,14,18,19)
InChIKeyVBPUMSYKWURNTF-UHFFFAOYSA-N
XLogP-0.51
TPSA104.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione (CID 60648923) is 6-amino-1-ethyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione is CCn1c(N)c(N2CCCCC2CO)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione?
The InChIKey is VBPUMSYKWURNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-2-15-10(13)9(11(18)14-12(15)19)16-6-4-3-5-8(16)7-17/h8,17H,2-7,13H2,1H3,(H,14,18,19).
What are the key properties of 6-amino-1-ethyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione?
6-amino-1-ethyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione has a molecular weight of 268.32 g/mol, XLogP of -0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-[2-(hydroxymethyl)piperidin-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 60648923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).