5-bromo-6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C12H18BrN5 — CID 66302732

IUPAC5-bromo-6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN1CCN(c2nc(N)c(Br)c(C3CC3)n2)CC1
InChIInChI=1S/C12H18BrN5/c1-17-4-6-18(7-5-17)12-15-10(8-2-3-8)9(13)11(14)16-12/h8H,2-7H2,1H3,(H2,14,15,16)
InChIKeyNAACXAIVPLJYRT-UHFFFAOYSA-N
MW312.22 g/mol
LogP1.45
Rot. Bonds2

About 5-bromo-6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

5-bromo-6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 66302732) has the molecular formula C12H18BrN5 and a molecular weight of 312.22 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID66302732
Molecular FormulaC12H18BrN5
Molecular Weight312.22 g/mol
Exact Mass311.07
IUPAC Name5-bromo-6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN1CCN(c2nc(N)c(Br)c(C3CC3)n2)CC1
InChIInChI=1S/C12H18BrN5/c1-17-4-6-18(7-5-17)12-15-10(8-2-3-8)9(13)11(14)16-12/h8H,2-7H2,1H3,(H2,14,15,16)
InChIKeyNAACXAIVPLJYRT-UHFFFAOYSA-N
XLogP1.45
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 66302732) is 5-bromo-6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is CN1CCN(c2nc(N)c(Br)c(C3CC3)n2)CC1.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is NAACXAIVPLJYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN5/c1-17-4-6-18(7-5-17)12-15-10(8-2-3-8)9(13)11(14)16-12/h8H,2-7H2,1H3,(H2,14,15,16).
What are the key properties of 5-bromo-6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 312.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 66302732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).