[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone

C19H24N4O3 — CID 42473279

IUPAC[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCCOc1cc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)nc(C)n1
InChIInChI=1S/C19H24N4O3/c1-4-26-18-13-17(20-14(2)21-18)22-9-11-23(12-10-22)19(24)15-5-7-16(25-3)8-6-15/h5-8,13H,4,9-12H2,1-3H3
InChIKeyLFINCGSRJZWHEX-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.15
Rot. Bonds5

About [4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 42473279) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is [4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID42473279
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCCOc1cc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)nc(C)n1
InChIInChI=1S/C19H24N4O3/c1-4-26-18-13-17(20-14(2)21-18)22-9-11-23(12-10-22)19(24)15-5-7-16(25-3)8-6-15/h5-8,13H,4,9-12H2,1-3H3
InChIKeyLFINCGSRJZWHEX-UHFFFAOYSA-N
XLogP2.15
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 42473279) is [4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone is CCOc1cc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)nc(C)n1.
What is the InChIKey of [4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is LFINCGSRJZWHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-26-18-13-17(20-14(2)21-18)22-9-11-23(12-10-22)19(24)15-5-7-16(25-3)8-6-15/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of [4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 356.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 42473279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).