4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one

C12H20N6O — CID 80833939

IUPAC4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one
SMILESCCNc1cc(N2CCNC(=O)C2CC)nc(N)n1
InChIInChI=1S/C12H20N6O/c1-3-8-11(19)15-5-6-18(8)10-7-9(14-4-2)16-12(13)17-10/h7-8H,3-6H2,1-2H3,(H,15,19)(H3,13,14,16,17)
InChIKeyNOSDBRHANOBZEK-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.21
Rot. Bonds4

About 4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one

4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one (PubChem CID 80833939) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one
PubChem CID80833939
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one
SMILESCCNc1cc(N2CCNC(=O)C2CC)nc(N)n1
InChIInChI=1S/C12H20N6O/c1-3-8-11(19)15-5-6-18(8)10-7-9(14-4-2)16-12(13)17-10/h7-8H,3-6H2,1-2H3,(H,15,19)(H3,13,14,16,17)
InChIKeyNOSDBRHANOBZEK-UHFFFAOYSA-N
XLogP0.21
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-2-one
CID 80833586
3-ethyl-4-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one
CID 80959273
3-ethyl-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-2-one
CID 80834717
3-ethyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperazin-2-one
CID 80957569
3-ethyl-4-[6-(methylamino)pyrimidin-4-yl]piperazin-2-one
CID 80833683
3-ethyl-4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-2-one
CID 133461689
4-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-3-ethylpiperazin-2-one
CID 102758288
4-[2-chloro-6-(ethylamino)pyridine-4-carbonyl]-3-ethylpiperazin-2-one
CID 63603736
1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80806613
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-3-ethylpiperazin-2-one
CID 80950835
4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
CID 80850984
4-(6,7-dichloroquinoxalin-2-yl)-3-ethylpiperazin-2-one
CID 167888729

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one?
The IUPAC name of 4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one (CID 80833939) is 4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one?
The canonical SMILES for 4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one is CCNc1cc(N2CCNC(=O)C2CC)nc(N)n1.
What is the InChIKey of 4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one?
The InChIKey is NOSDBRHANOBZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-3-8-11(19)15-5-6-18(8)10-7-9(14-4-2)16-12(13)17-10/h7-8H,3-6H2,1-2H3,(H,15,19)(H3,13,14,16,17).
What are the key properties of 4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one?
4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one is sourced from PubChem (CID 80833939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).