4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide

C16H22Br2N4O — CID 44614492

IUPAC4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide
SMILESBr.Br.COc1ccccc1-c1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C16H20N4O.2BrH/c1-19-9-11-20(12-10-19)16-17-8-7-14(18-16)13-5-3-4-6-15(13)21-2;;/h3-8H,9-12H2,1-2H3;2*1H
InChIKeyCBLCUEDUHFPWQX-UHFFFAOYSA-N
MW446.19 g/mol
LogP3.06
Rot. Bonds3

About 4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide

4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide (PubChem CID 44614492) has the molecular formula C16H22Br2N4O and a molecular weight of 446.19 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide
PubChem CID44614492
Molecular FormulaC16H22Br2N4O
Molecular Weight446.19 g/mol
Exact Mass444.02
IUPAC Name4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide
SMILESBr.Br.COc1ccccc1-c1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C16H20N4O.2BrH/c1-19-9-11-20(12-10-19)16-17-8-7-14(18-16)13-5-3-4-6-15(13)21-2;;/h3-8H,9-12H2,1-2H3;2*1H
InChIKeyCBLCUEDUHFPWQX-UHFFFAOYSA-N
XLogP3.06
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.19
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide?
The IUPAC name of 4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide (CID 44614492) is 4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide.
What is the SMILES notation for 4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide?
The canonical SMILES for 4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide is Br.Br.COc1ccccc1-c1ccnc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide?
The InChIKey is CBLCUEDUHFPWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.2BrH/c1-19-9-11-20(12-10-19)16-17-8-7-14(18-16)13-5-3-4-6-15(13)21-2;;/h3-8H,9-12H2,1-2H3;2*1H.
What are the key properties of 4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide?
4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide has a molecular weight of 446.19 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrobromide is sourced from PubChem (CID 44614492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).