4,6-bis[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]pyrimidine

C22H40N6O2 — CID 75432307

IUPAC4,6-bis[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]pyrimidine
SMILESCCOCCN1CCN(c2cc(N3CCN(CCOCC)C(C)C3)ncn2)CC1C
InChIInChI=1S/C22H40N6O2/c1-5-29-13-11-25-7-9-27(16-19(25)3)21-15-22(24-18-23-21)28-10-8-26(20(4)17-28)12-14-30-6-2/h15,18-20H,5-14,16-17H2,1-4H3
InChIKeyCGPBELXXEAEBJR-UHFFFAOYSA-N
MW420.60 g/mol
LogP1.57
Rot. Bonds10

About 4,6-bis[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]pyrimidine

4,6-bis[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]pyrimidine (PubChem CID 75432307) has the molecular formula C22H40N6O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 4,6-bis[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,6-bis[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]pyrimidine
PubChem CID75432307
Molecular FormulaC22H40N6O2
Molecular Weight420.60 g/mol
Exact Mass420.32
IUPAC Name4,6-bis[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]pyrimidine
SMILESCCOCCN1CCN(c2cc(N3CCN(CCOCC)C(C)C3)ncn2)CC1C
InChIInChI=1S/C22H40N6O2/c1-5-29-13-11-25-7-9-27(16-19(25)3)21-15-22(24-18-23-21)28-10-8-26(20(4)17-28)12-14-30-6-2/h15,18-20H,5-14,16-17H2,1-4H3
InChIKeyCGPBELXXEAEBJR-UHFFFAOYSA-N
XLogP1.57
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]pyrimidine?
The IUPAC name of 4,6-bis[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]pyrimidine (CID 75432307) is 4,6-bis[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 4,6-bis[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 4,6-bis[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]pyrimidine is CCOCCN1CCN(c2cc(N3CCN(CCOCC)C(C)C3)ncn2)CC1C.
What is the InChIKey of 4,6-bis[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]pyrimidine?
The InChIKey is CGPBELXXEAEBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N6O2/c1-5-29-13-11-25-7-9-27(16-19(25)3)21-15-22(24-18-23-21)28-10-8-26(20(4)17-28)12-14-30-6-2/h15,18-20H,5-14,16-17H2,1-4H3.
What are the key properties of 4,6-bis[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]pyrimidine?
4,6-bis[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]pyrimidine has a molecular weight of 420.60 g/mol, XLogP of 1.57, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 75432307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).