4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione

C10H14N6O2 — CID 80850984

IUPAC4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1cc(N)nc(N)n1
InChIInChI=1S/C10H14N6O2/c1-2-5-9(18)15-8(17)4-16(5)7-3-6(11)13-10(12)14-7/h3,5H,2,4H2,1H3,(H,15,17,18)(H4,11,12,13,14)
InChIKeyXBHLHWRSLHZSCQ-UHFFFAOYSA-N
MW250.26 g/mol
LogP-1.12
Rot. Bonds2

About 4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione

4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione (PubChem CID 80850984) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
PubChem CID80850984
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1cc(N)nc(N)n1
InChIInChI=1S/C10H14N6O2/c1-2-5-9(18)15-8(17)4-16(5)7-3-6(11)13-10(12)14-7/h3,5H,2,4H2,1H3,(H,15,17,18)(H4,11,12,13,14)
InChIKeyXBHLHWRSLHZSCQ-UHFFFAOYSA-N
XLogP-1.12
TPSA127.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
CID 80547174
4-(5-amino-6-ethoxy-2-pyridinyl)-3-ethylpiperazine-2,6-dione
CID 66069258
4-(3-amino-1,2,4-thiadiazol-5-yl)-3-ethylpiperazine-2,6-dione
CID 66278813
4-(4-amino-2,6-dichlorophenyl)-3-ethylpiperazine-2,6-dione
CID 106890549
3-ethyl-4-[6-(ethylamino)-2-pyridinyl]piperazine-2,6-dione
CID 80850902
4-[2-amino-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 80850978
4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one
CID 80833939
4-(2-amino-4-methylphenyl)-3-ethylpiperazine-2,6-dione
CID 66069644
5-amino-6-(2-ethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxamide
CID 114406910
4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-3-ethylpiperazine-2,6-dione
CID 102762240
4-(2-amino-4-bromo-5-fluorophenyl)-3-ethylpiperazine-2,6-dione
CID 66111348
4-[3-(aminomethyl)pyrazin-2-yl]-3-ethylpiperazine-2,6-dione
CID 66068280

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione (CID 80850984) is 4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1c1cc(N)nc(N)n1.
What is the InChIKey of 4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione?
The InChIKey is XBHLHWRSLHZSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-2-5-9(18)15-8(17)4-16(5)7-3-6(11)13-10(12)14-7/h3,5H,2,4H2,1H3,(H,15,17,18)(H4,11,12,13,14).
What are the key properties of 4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione?
4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione has a molecular weight of 250.26 g/mol, XLogP of -1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 80850984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).