4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-1,3,3-trimethylpiperazin-2-one

C13H22N6O — CID 80854693

IUPAC4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-1,3,3-trimethylpiperazin-2-one
SMILESCCNc1cc(N2CCN(C)C(=O)C2(C)C)nc(N)n1
InChIInChI=1S/C13H22N6O/c1-5-15-9-8-10(17-12(14)16-9)19-7-6-18(4)11(20)13(19,2)3/h8H,5-7H2,1-4H3,(H3,14,15,16,17)
InChIKeyDENQPOKTWGMOHJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.55
Rot. Bonds3

About 4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-1,3,3-trimethylpiperazin-2-one

4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-1,3,3-trimethylpiperazin-2-one (PubChem CID 80854693) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-1,3,3-trimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-1,3,3-trimethylpiperazin-2-one
PubChem CID80854693
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-1,3,3-trimethylpiperazin-2-one
SMILESCCNc1cc(N2CCN(C)C(=O)C2(C)C)nc(N)n1
InChIInChI=1S/C13H22N6O/c1-5-15-9-8-10(17-12(14)16-9)19-7-6-18(4)11(20)13(19,2)3/h8H,5-7H2,1-4H3,(H3,14,15,16,17)
InChIKeyDENQPOKTWGMOHJ-UHFFFAOYSA-N
XLogP0.55
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-aminopyrimidin-4-yl)-1,3,3-trimethylpiperazin-2-one
CID 80854480
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 106258583
4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazin-2-one
CID 80833939
6-(1,3-dihydroisoindol-2-yl)-4-N-ethylpyrimidine-2,4-diamine
CID 80822823
1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80806613
4-N-ethyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-2,4-diamine
CID 80816046
1-[4-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 80823753
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129
[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640645
4-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 80942182
4-N-ethyl-6-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-2,4-diamine
CID 114597917

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-1,3,3-trimethylpiperazin-2-one?
The IUPAC name of 4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-1,3,3-trimethylpiperazin-2-one (CID 80854693) is 4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-1,3,3-trimethylpiperazin-2-one.
What is the SMILES notation for 4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-1,3,3-trimethylpiperazin-2-one?
The canonical SMILES for 4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-1,3,3-trimethylpiperazin-2-one is CCNc1cc(N2CCN(C)C(=O)C2(C)C)nc(N)n1.
What is the InChIKey of 4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-1,3,3-trimethylpiperazin-2-one?
The InChIKey is DENQPOKTWGMOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-5-15-9-8-10(17-12(14)16-9)19-7-6-18(4)11(20)13(19,2)3/h8H,5-7H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-1,3,3-trimethylpiperazin-2-one?
4-[2-amino-6-(ethylamino)pyrimidin-4-yl]-1,3,3-trimethylpiperazin-2-one has a molecular weight of 278.36 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 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]-1,3,3-trimethylpiperazin-2-one is sourced from PubChem (CID 80854693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).