5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine

C13H22BrN5 — CID 80761980

IUPAC5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(N2CCN(CC)CC2)n1
InChIInChI=1S/C13H22BrN5/c1-3-5-15-13-16-10-11(14)12(17-13)19-8-6-18(4-2)7-9-19/h10H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyDICPHUPSKWDUDL-UHFFFAOYSA-N
MW328.26 g/mol
LogP2.20
Rot. Bonds5

About 5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine

5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine (PubChem CID 80761980) has the molecular formula C13H22BrN5 and a molecular weight of 328.26 g/mol. Its IUPAC name is 5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine
PubChem CID80761980
Molecular FormulaC13H22BrN5
Molecular Weight328.26 g/mol
Exact Mass327.11
IUPAC Name5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(N2CCN(CC)CC2)n1
InChIInChI=1S/C13H22BrN5/c1-3-5-15-13-16-10-11(14)12(17-13)19-8-6-18(4-2)7-9-19/h10H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyDICPHUPSKWDUDL-UHFFFAOYSA-N
XLogP2.20
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine (CID 80761980) is 5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine is CCCNc1ncc(Br)c(N2CCN(CC)CC2)n1.
What is the InChIKey of 5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine?
The InChIKey is DICPHUPSKWDUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN5/c1-3-5-15-13-16-10-11(14)12(17-13)19-8-6-18(4-2)7-9-19/h10H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine?
5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine has a molecular weight of 328.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80761980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).