1-[2-(tert-butylamino)ethyl]-5-chloropyrimidine-2,4-dione

C10H16ClN3O2 — CID 66424190

IUPAC1-[2-(tert-butylamino)ethyl]-5-chloropyrimidine-2,4-dione
SMILESCC(C)(C)NCCn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C10H16ClN3O2/c1-10(2,3)12-4-5-14-6-7(11)8(15)13-9(14)16/h6,12H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyJQZMTMPQELPFQR-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.58
Rot. Bonds3

About 1-[2-(tert-butylamino)ethyl]-5-chloropyrimidine-2,4-dione

1-[2-(tert-butylamino)ethyl]-5-chloropyrimidine-2,4-dione (PubChem CID 66424190) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)ethyl]-5-chloropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(tert-butylamino)ethyl]-5-chloropyrimidine-2,4-dione
PubChem CID66424190
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name1-[2-(tert-butylamino)ethyl]-5-chloropyrimidine-2,4-dione
SMILESCC(C)(C)NCCn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C10H16ClN3O2/c1-10(2,3)12-4-5-14-6-7(11)8(15)13-9(14)16/h6,12H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyJQZMTMPQELPFQR-UHFFFAOYSA-N
XLogP0.58
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.58
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]-5-chloropyrimidine-2,4-dione?
The IUPAC name of 1-[2-(tert-butylamino)ethyl]-5-chloropyrimidine-2,4-dione (CID 66424190) is 1-[2-(tert-butylamino)ethyl]-5-chloropyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(tert-butylamino)ethyl]-5-chloropyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(tert-butylamino)ethyl]-5-chloropyrimidine-2,4-dione is CC(C)(C)NCCn1cc(Cl)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(tert-butylamino)ethyl]-5-chloropyrimidine-2,4-dione?
The InChIKey is JQZMTMPQELPFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-10(2,3)12-4-5-14-6-7(11)8(15)13-9(14)16/h6,12H,4-5H2,1-3H3,(H,13,15,16).
What are the key properties of 1-[2-(tert-butylamino)ethyl]-5-chloropyrimidine-2,4-dione?
1-[2-(tert-butylamino)ethyl]-5-chloropyrimidine-2,4-dione has a molecular weight of 245.71 g/mol, XLogP of 0.58, 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]-5-chloropyrimidine-2,4-dione is sourced from PubChem (CID 66424190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).