2-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C14H19N7 — CID 80939063

IUPAC2-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCc1nc(N)cc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C14H19N7/c1-2-12-18-11(15)10-13(19-12)20-6-8-21(9-7-20)14-16-4-3-5-17-14/h3-5,10H,2,6-9H2,1H3,(H2,15,18,19)
InChIKeyQIIQYJSTTHOSML-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.74
Rot. Bonds3

About 2-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

2-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 80939063) has the molecular formula C14H19N7 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID80939063
Molecular FormulaC14H19N7
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name2-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCc1nc(N)cc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C14H19N7/c1-2-12-18-11(15)10-13(19-12)20-6-8-21(9-7-20)14-16-4-3-5-17-14/h3-5,10H,2,6-9H2,1H3,(H2,15,18,19)
InChIKeyQIIQYJSTTHOSML-UHFFFAOYSA-N
XLogP0.74
TPSA84.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80939059
1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81109427
6-(4-cyclopentylpiperazin-1-yl)-2-ethylpyrimidin-4-amine
CID 80934683
2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-4-amine
CID 10358975
2-ethyl-6-(2-ethylimidazol-1-yl)pyrimidin-4-amine
CID 80941714
1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80935425
2-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrimidin-4-amine
CID 114238687
2-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-amine
CID 102746664
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethylpyrimidin-4-amine
CID 115563079
1-(6-amino-2-ethylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114684034
2-chloro-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-4-amine
CID 104918719
2-propyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 80945393

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 80939063) is 2-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is CCc1nc(N)cc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of 2-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is QIIQYJSTTHOSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7/c1-2-12-18-11(15)10-13(19-12)20-6-8-21(9-7-20)14-16-4-3-5-17-14/h3-5,10H,2,6-9H2,1H3,(H2,15,18,19).
What are the key properties of 2-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
2-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 285.35 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80939063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).