1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione

C10H17N3O2 — CID 62563033

IUPAC1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione
SMILESCC(C)(C)NCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-10(2,3)11-5-7-13-6-4-8(14)12-9(13)15/h4,6,11H,5,7H2,1-3H3,(H,12,14,15)
InChIKeyBXSYSVOBASXHBB-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.08
Rot. Bonds3

About 1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione

1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione (PubChem CID 62563033) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione
PubChem CID62563033
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione
SMILESCC(C)(C)NCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H17N3O2/c1-10(2,3)11-5-7-13-6-4-8(14)12-9(13)15/h4,6,11H,5,7H2,1-3H3,(H,12,14,15)
InChIKeyBXSYSVOBASXHBB-UHFFFAOYSA-N
XLogP-0.08
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione (CID 62563033) is 1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione is CC(C)(C)NCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione?
The InChIKey is BXSYSVOBASXHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,3)11-5-7-13-6-4-8(14)12-9(13)15/h4,6,11H,5,7H2,1-3H3,(H,12,14,15).
What are the key properties of 1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione?
1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 62563033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).