[3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone

C22H25N5O2 — CID 127036695

IUPAC[3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cccc(-c3cc(-c4ccc(C)o4)nc(N)n3)c2)CC1
InChIInChI=1S/C22H25N5O2/c1-3-26-9-11-27(12-10-26)21(28)17-6-4-5-16(13-17)18-14-19(25-22(23)24-18)20-8-7-15(2)29-20/h4-8,13-14H,3,9-12H2,1-2H3,(H2,23,24,25)
InChIKeyUQWBHMRNMCLLLN-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.07
Rot. Bonds4

About [3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone

[3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 127036695) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID127036695
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cccc(-c3cc(-c4ccc(C)o4)nc(N)n3)c2)CC1
InChIInChI=1S/C22H25N5O2/c1-3-26-9-11-27(12-10-26)21(28)17-6-4-5-16(13-17)18-14-19(25-22(23)24-18)20-8-7-15(2)29-20/h4-8,13-14H,3,9-12H2,1-2H3,(H2,23,24,25)
InChIKeyUQWBHMRNMCLLLN-UHFFFAOYSA-N
XLogP3.07
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone (CID 127036695) is [3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cccc(-c3cc(-c4ccc(C)o4)nc(N)n3)c2)CC1.
What is the InChIKey of [3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is UQWBHMRNMCLLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-3-26-9-11-27(12-10-26)21(28)17-6-4-5-16(13-17)18-14-19(25-22(23)24-18)20-8-7-15(2)29-20/h4-8,13-14H,3,9-12H2,1-2H3,(H2,23,24,25).
What are the key properties of [3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone?
[3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 391.48 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 127036695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).