[2-(ethylamino)pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C18H23N5O2 — CID 72858782

IUPAC[2-(ethylamino)pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCN(c3ccccc3OC)CC2)cn1
InChIInChI=1S/C18H23N5O2/c1-3-19-18-20-12-14(13-21-18)17(24)23-10-8-22(9-11-23)15-6-4-5-7-16(15)25-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,20,21)
InChIKeyHCIBMTJVQKIJJU-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.88
Rot. Bonds5

About [2-(ethylamino)pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[2-(ethylamino)pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 72858782) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [2-(ethylamino)pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID72858782
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[2-(ethylamino)pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCN(c3ccccc3OC)CC2)cn1
InChIInChI=1S/C18H23N5O2/c1-3-19-18-20-12-14(13-21-18)17(24)23-10-8-22(9-11-23)15-6-4-5-7-16(15)25-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,20,21)
InChIKeyHCIBMTJVQKIJJU-UHFFFAOYSA-N
XLogP1.88
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 72858782) is [2-(ethylamino)pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(ethylamino)pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(ethylamino)pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is CCNc1ncc(C(=O)N2CCN(c3ccccc3OC)CC2)cn1.
What is the InChIKey of [2-(ethylamino)pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is HCIBMTJVQKIJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-3-19-18-20-12-14(13-21-18)17(24)23-10-8-22(9-11-23)15-6-4-5-7-16(15)25-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,20,21).
What are the key properties of [2-(ethylamino)pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[2-(ethylamino)pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 341.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 72858782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).